SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TOP'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ARG A  57
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
None
 0.95A 1ao8A-2w9sA:
21.6		 1ao8A-2w9sA:
36.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 ( 4.5A)
 0.60A 1ao8A-2w9sA:
21.6		 1ao8A-2w9sA:
36.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
THR X  61
SER X  64
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
None
None
 0.99A 1ao8A-4g8zX:
18.5		 1ao8A-4g8zX:
27.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
PHE X  36
THR X  61
SER X  64
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.5A)
 0.56A 1ao8A-4g8zX:
18.5		 1ao8A-4g8zX:
27.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 ( 4.5A)
 0.73A 1bzfA-2w9sA:
20.9		 1bzfA-2w9sA:
36.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 ( 4.5A)
 0.88A 1bzfA-2w9sA:
20.9		 1bzfA-2w9sA:
36.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 1cd2A-2w9sA:
19.7		 1cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
None
TOP  A1160 ( 4.5A)
 0.68A 1cd2A-2w9sA:
19.7		 1cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.63A 1cd2A-4g8zX:
34.5		 1cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		3 / 3 GLU X  32
ILE X  33
ARG X  75
 TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
None
 0.46A 1cd2A-4g8zX:
34.5		 1cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 1d1gA-2w9sA:
19.1		 1d1gA-2w9sA:
32.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.60A 1d1gA-4g8zX:
17.0		 1d1gA-4g8zX:
26.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.47A 1d1gB-2w9sA:
19.1		 1d1gB-2w9sA:
32.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.68A 1d1gB-4g8zX:
17.1		 1d1gB-4g8zX:
26.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
 0.83A 1ddrA-2w9sA:
23.9		 1ddrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.67A 1ddrA-2w9sA:
23.9		 1ddrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
THR X  61
SER X  64
ILE X  65
LEU X  72
ARG X  75
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
 0.75A 1ddrA-4g8zX:
18.8		 1ddrA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
THR X  61
SER X  64
ILE X  65
LEU X  72
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
 0.72A 1ddrA-4g8zX:
18.8		 1ddrA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.44A 1ddrB-2w9sA:
24.1		 1ddrB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.88A 1ddrB-2w9sA:
24.1		 1ddrB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.59A 1ddrB-4g8zX:
19.1		 1ddrB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.61A 1ddsA-2w9sA:
24.1		 1ddsA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.51A 1ddsA-2w9sA:
24.1		 1ddsA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.63A 1ddsA-4g8zX:
19.1		 1ddsA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		11 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 1ddsB-2w9sA:
24.4		 1ddsB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.65A 1ddsB-4g8zX:
19.5		 1ddsB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
None
 0.43A 1df7A-2w9sA:
23.6		 1df7A-2w9sA:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
 0.57A 1df7A-4g8zX:
20.1		 1df7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
 0.54A 1dg5A-2w9sA:
23.3		 1dg5A-2w9sA:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
SER X  64
PRO X  66
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
 0.41A 1dg5A-4g8zX:
20.2		 1dg5A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.63A 1dhfA-2w9sA:
20.8		 1dhfA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
PRO X  66
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.50A 1dhfA-4g8zX:
24.6		 1dhfA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.63A 1dhfB-2w9sA:
20.7		 1dhfB-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ASN X  69
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
None
TOP  X 301 (-4.5A)
 0.43A 1dhfB-4g8zX:
24.7		 1dhfB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.74A 1dhiA-2w9sA:
24.0		 1dhiA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 1dhiA-2w9sA:
24.0		 1dhiA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.69A 1dhiA-4g8zX:
19.1		 1dhiA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 11 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.42A 1dhiB-2w9sA:
24.5		 1dhiB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 11 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.56A 1dhiB-2w9sA:
24.5		 1dhiB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 1dhiB-4g8zX:
19.6		 1dhiB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.74A 1dhjA-2w9sA:
23.9		 1dhjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.65A 1dhjA-2w9sA:
23.9		 1dhjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.71A 1dhjA-4g8zX:
19.2		 1dhjA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.45A 1dhjB-2w9sA:
24.4		 1dhjB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
PRO A  55
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
None
None
TOP  A1160 ( 4.5A)
 0.57A 1dhjB-2w9sA:
24.4		 1dhjB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 1dhjB-4g8zX:
19.6		 1dhjB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ILE X  10
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
 0.61A 1dhjB-4g8zX:
19.6		 1dhjB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.85A 1dlsA-2w9sA:
21.0		 1dlsA-2w9sA:
31.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
GLU X  32
SER X  64
ILE X  65
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.66A 1dlsA-4g8zX:
25.1		 1dlsA-4g8zX:
36.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
 0.72A 1draA-2w9sA:
24.0		 1draA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.66A 1draA-2w9sA:
24.0		 1draA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
GLU X  32
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
 0.70A 1draA-4g8zX:
19.2		 1draA-4g8zX:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.43A 1draB-2w9sA:
24.5		 1draB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.54A 1draB-2w9sA:
24.5		 1draB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
GLU X  32
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 1draB-4g8zX:
19.7		 1draB-4g8zX:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.72A 1drbA-2w9sA:
24.0		 1drbA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 1drbA-2w9sA:
24.0		 1drbA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.74A 1drbA-4g8zX:
19.1		 1drbA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.43A 1drbB-2w9sA:
24.4		 1drbB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.55A 1drbB-2w9sA:
24.4		 1drbB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.61A 1drbB-4g8zX:
19.5		 1drbB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.70A 1dreA-2w9sA:
25.6		 1dreA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.62A 1dreA-2w9sA:
25.6		 1dreA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.76A 1dreA-4g8zX:
20.3		 1dreA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
LEU A  20
SER A  49
ILE A  50
LEU A  54
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
 1.08A 1drfA-2w9sA:
20.8		 1drfA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
 0.65A 1drfA-2w9sA:
20.8		 1drfA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
PRO X  66
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
 0.95A 1drfA-4g8zX:
24.4		 1drfA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
LEU X  72
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
 0.68A 1drfA-4g8zX:
24.4		 1drfA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		4 / 4 GLU X  32
ASN X  69
ARG X  75
THR X 144
 TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.85A 1drfA-4g8zX:
24.4		 1drfA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.09A 1dyiA-2w9sA:
24.1		 1dyiA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 1dyiA-2w9sA:
24.1		 1dyiA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.54A 1dyiA-2w9sA:
24.1		 1dyiA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.53A 1dyiA-4g8zX:
19.3		 1dyiA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.02A 1dyiB-2w9sA:
24.4		 1dyiB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.73A 1dyiB-2w9sA:
24.4		 1dyiB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.53A 1dyiB-2w9sA:
24.4		 1dyiB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.42A 1dyiB-4g8zX:
19.4		 1dyiB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ILE A   5
ALA A   7
LEU A  20
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.30A 1dyrA-2w9sA:
19.7		 1dyrA-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		11 / 11 ILE X  10
ALA X  12
LEU X  25
GLU X  32
ILE X  33
PHE X  36
ILE X  65
PRO X  66
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 1dyrA-4g8zX:
34.3		 1dyrA-4g8zX:
95.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.76A 1j3jA-2w9sA:
20.6		 1j3jA-2w9sA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 10 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 1j3jA-4g8zX:
22.0		 1j3jA-4g8zX:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 9 ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.75A 1j3jB-2w9sA:
20.4		 1j3jB-2w9sA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 9 ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 1j3jB-4g8zX:
21.8		 1j3jB-4g8zX:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.47A 1jolA-2w9sA:
24.2		 1jolA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.61A 1jolA-2w9sA:
24.2		 1jolA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.66A 1jolA-4g8zX:
19.2		 1jolA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.52A 1jolB-2w9sA:
24.5		 1jolB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.62A 1jolB-4g8zX:
19.6		 1jolB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 1jomA-2w9sA:
23.9		 1jomA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.60A 1jomA-4g8zX:
18.9		 1jomA-4g8zX:
30.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.59A 1qzfA-2w9sA:
12.8		 1qzfA-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.59A 1qzfA-4g8zX:
11.3		 1qzfA-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.75A 1qzfA-4g8zX:
11.3		 1qzfA-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 1qzfB-2w9sA:
20.8		 1qzfB-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.61A 1qzfB-4g8zX:
21.2		 1qzfB-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 1qzfB-4g8zX:
21.2		 1qzfB-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 1qzfC-2w9sA:
13.4		 1qzfC-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.61A 1qzfC-4g8zX:
11.9		 1qzfC-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 1qzfC-4g8zX:
11.9		 1qzfC-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.61A 1qzfD-2w9sA:
12.8		 1qzfD-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.61A 1qzfD-4g8zX:
11.3		 1qzfD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 1qzfD-4g8zX:
11.3		 1qzfD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 1qzfE-2w9sA:
12.8		 1qzfE-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.63A 1qzfE-4g8zX:
11.3		 1qzfE-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.77A 1qzfE-4g8zX:
11.3		 1qzfE-4g8zX:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.51A 1ra2A-2w9sA:
24.7		 1ra2A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.49A 1ra2A-4g8zX:
19.4		 1ra2A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.43A 1ra3A-2w9sA:
24.7		 1ra3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.73A 1ra3A-2w9sA:
24.7		 1ra3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.60A 1ra3A-4g8zX:
19.4		 1ra3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.42A 1ra8A-2w9sA:
24.6		 1ra8A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 1ra8A-4g8zX:
19.3		 1ra8A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 1rb2A-2w9sA:
24.8		 1rb2A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.78A 1rb2A-2w9sA:
24.8		 1rb2A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.48A 1rb2A-4g8zX:
19.5		 1rb2A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.55A 1rb2B-2w9sA:
24.6		 1rb2B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.39A 1rb2B-4g8zX:
19.3		 1rb2B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 10 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.58A 1rb3A-2w9sA:
24.8		 1rb3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 10 ILE X  10
ALA X  12
ILE X  65
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.54A 1rb3A-4g8zX:
19.6		 1rb3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.90A 1rb3B-2w9sA:
24.7		 1rb3B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.74A 1rb3B-2w9sA:
24.7		 1rb3B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.66A 1rb3B-4g8zX:
19.6		 1rb3B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.78A 1rb3B-4g8zX:
19.6		 1rb3B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.59A 1rd7A-2w9sA:
23.9		 1rd7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.37A 1rd7A-2w9sA:
23.9		 1rd7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 1rd7A-4g8zX:
18.9		 1rd7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.00A 1rd7B-2w9sA:
23.8		 1rd7B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 1rd7B-2w9sA:
23.8		 1rd7B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 1rd7B-2w9sA:
23.8		 1rd7B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 1rd7B-4g8zX:
18.9		 1rd7B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.81A 1re7A-2w9sA:
24.0		 1re7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.51A 1re7A-2w9sA:
24.0		 1re7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.40A 1re7A-4g8zX:
19.1		 1re7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.52A 1re7B-2w9sA:
23.9		 1re7B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.71A 1re7B-2w9sA:
23.9		 1re7B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.43A 1re7B-4g8zX:
18.7		 1re7B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
PHE X  36
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.54A 1re7B-4g8zX:
18.7		 1re7B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
 1.45A 1rg7A-2w9sA:
23.4		 1rg7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
 0.75A 1rg7A-2w9sA:
23.4		 1rg7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.64A 1rg7A-2w9sA:
23.4		 1rg7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
THR X  61
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.69A 1rg7A-4g8zX:
18.6		 1rg7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.71A 1rh3A-2w9sA:
25.6		 1rh3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.60A 1rh3A-2w9sA:
25.6		 1rh3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.74A 1rh3A-4g8zX:
20.3		 1rh3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.42A 1rx2A-2w9sA:
26.0		 1rx2A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.78A 1rx2A-2w9sA:
26.0		 1rx2A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.54A 1rx2A-4g8zX:
20.5		 1rx2A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.47A 1rx3A-2w9sA:
25.9		 1rx3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.64A 1rx3A-4g8zX:
20.6		 1rx3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 1rx7A-2w9sA:
23.5		 1rx7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.90A 1rx7A-2w9sA:
23.5		 1rx7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 1rx7A-4g8zX:
18.7		 1rx7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.44A 1rx8A-2w9sA:
25.4		 1rx8A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.56A 1rx8A-4g8zX:
20.4		 1rx8A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
 0.51A 1tdrA-2w9sA:
24.1		 1tdrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.54A 1tdrA-2w9sA:
24.1		 1tdrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
 0.55A 1tdrA-4g8zX:
19.4		 1tdrA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.72A 1tdrA-4g8zX:
19.4		 1tdrA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 10 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.47A 1tdrB-2w9sA:
24.4		 1tdrB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 10 ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.55A 1tdrB-2w9sA:
24.4		 1tdrB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.74A 1tdrB-4g8zX:
19.4		 1tdrB-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
None
None
 0.43A 1u70A-2w9sA:
20.3		 1u70A-2w9sA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
GLU X  32
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.45A 1u70A-4g8zX:
24.9		 1u70A-4g8zX:
36.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
None
None
 0.86A 1u72A-2w9sA:
20.9		 1u72A-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ALA X  12
LEU X  25
GLU X  32
SER X  64
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.84A 1u72A-4g8zX:
25.0		 1u72A-4g8zX:
37.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.68A 2bl9A-2w9sA:
20.1		 2bl9A-2w9sA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 2bl9A-4g8zX:
21.7		 2bl9A-4g8zX:
28.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.59A 2blaA-2w9sA:
19.6		 2blaA-2w9sA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ILE A   5
ASP A  27
SER A  49
ILE A  50
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.88A 2blaA-2w9sA:
19.6		 2blaA-2w9sA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 2blaA-4g8zX:
21.3		 2blaA-4g8zX:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.50A 2blaA-4g8zX:
21.3		 2blaA-4g8zX:
28.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 2cd2A-2w9sA:
19.8		 2cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		11 / 12 ILE X  10
ALA X  12
LEU X  25
ILE X  33
THR X  61
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 ( 4.4A)
NDP  X 302 (-3.4A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 2cd2A-4g8zX:
34.9		 2cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.71A 2d0kA-2w9sA:
23.7		 2d0kA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.29A 2d0kA-4g8zX:
18.6		 2d0kA-4g8zX:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.55A 2d0kB-2w9sA:
23.7		 2d0kB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.39A 2d0kB-4g8zX:
18.9		 2d0kB-4g8zX:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
 0.68A 2drcA-2w9sA:
24.1		 2drcA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.61A 2drcA-2w9sA:
24.1		 2drcA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
 0.71A 2drcA-4g8zX:
19.2		 2drcA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.54A 2drcB-2w9sA:
24.4		 2drcB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 2drcB-4g8zX:
19.7		 2drcB-4g8zX:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.62A 2oipA-2w9sA:
21.5		 2oipA-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.79A 2oipA-4g8zX:
21.9		 2oipA-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.88A 2oipA-4g8zX:
21.9		 2oipA-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.58A 2oipB-2w9sA:
13.1		 2oipB-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LYS A  29
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 1.17A 2oipB-2w9sA:
13.1		 2oipB-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.66A 2oipB-4g8zX:
20.3		 2oipB-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
LYS X  30
THR X  61
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
None
TOP  X 301 (-4.5A)
 1.23A 2oipB-4g8zX:
20.3		 2oipB-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 2oipB-4g8zX:
20.3		 2oipB-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.61A 2oipC-2w9sA:
21.2		 2oipC-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.69A 2oipC-4g8zX:
21.5		 2oipC-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.67A 2oipD-2w9sA:
21.8		 2oipD-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.84A 2oipD-4g8zX:
22.1		 2oipD-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.94A 2oipD-4g8zX:
22.1		 2oipD-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.73A 2oipE-2w9sA:
20.6		 2oipE-2w9sA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.72A 2oipE-4g8zX:
21.0		 2oipE-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.86A 2oipE-4g8zX:
21.0		 2oipE-4g8zX:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.91A 2oipE-4g8zX:
21.0		 2oipE-4g8zX:
17.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 3.9A)
None
 0.60A 2qk8A-2w9sA:
25.3		 2qk8A-2w9sA:
44.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  28
LYS A  32
ARG A  57
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 3.9A)
None
 0.86A 2qk8A-2w9sA:
25.3		 2qk8A-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
GLU X  32
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
None
None
None
 0.72A 2qk8A-4g8zX:
20.4		 2qk8A-4g8zX:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
 0.88A 2qk8A-4g8zX:
20.4		 2qk8A-4g8zX:
29.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ILE A   5
ALA A   7
THR A  46
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.58A 2w3aA-2w9sA:
20.5		 2w3aA-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 11 ILE X  10
ALA X  12
GLU X  32
PHE X  36
THR X  61
ILE X  65
PRO X  66
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 (-4.5A)
 0.44A 2w3aA-4g8zX:
25.5		 2w3aA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.63A 2w3aB-2w9sA:
20.5		 2w3aB-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
ALA A   7
THR A  46
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.51A 2w3aB-2w9sA:
20.5		 2w3aB-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 10 ILE X  10
ALA X  12
GLU X  32
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.47A 2w3aB-4g8zX:
25.4		 2w3aB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 2w3bA-2w9sA:
20.6		 2w3bA-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
PRO X  66
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 (-4.5A)
 0.54A 2w3bA-4g8zX:
25.5		 2w3bA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.67A 2w3bB-2w9sA:
20.6		 2w3bB-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 2w3bB-4g8zX:
25.3		 2w3bB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 2w3mA-2w9sA:
20.4		 2w3mA-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
TOP  A1160 ( 4.5A)
 0.59A 2w3mA-2w9sA:
20.4		 2w3mA-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 2w3mA-4g8zX:
25.1		 2w3mA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
None
TOP  A1160 ( 4.5A)
 0.63A 2w3mB-2w9sA:
20.4		 2w3mB-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
GLU X  32
PHE X  36
ASN X  69
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
None
None
None
None
TOP  X 301 (-4.5A)
 0.54A 2w3mB-4g8zX:
25.2		 2w3mB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 1.44A 2w3vA-2w9sA:
23.0		 2w3vA-2w9sA:
32.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.35A 2w3vA-2w9sA:
23.0		 2w3vA-2w9sA:
32.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
SER X  64
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.32A 2w3vA-4g8zX:
21.4		 2w3vA-4g8zX:
32.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ILE X  33
MET X  57
TYR X  35
VAL X  55
LEU X  72
 TOP  X 301 ( 4.4A)
None
None
None
None
 1.27A 2w98A-4g8zX:
undetectable		 2w98A-4g8zX:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.34A 2w9gA-2w9sA:
30.3		 2w9gA-2w9sA:
80.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
LEU X  25
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.57A 2w9gA-4g8zX:
20.1		 2w9gA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.53A 2w9hA-2w9sA:
29.7		 2w9hA-2w9sA:
80.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
LEU X  25
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.70A 2w9hA-4g8zX:
19.8		 2w9hA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.54A 2w9sA-4g8zX:
19.9		 2w9sA-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_B_TOPB1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.53A 2w9sB-4g8zX:
20.0		 2w9sB-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 10 ILE X  10
ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.53A 2w9sC-4g8zX:
19.9		 2w9sC-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ILE X  10
ALA X  12
LEU X  25
SER X  64
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
TOP  X 301 (-4.5A)
 0.76A 2w9sD-4g8zX:
19.5		 2w9sD-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 8 ILE X  10
ALA X  12
LEU X  25
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 2w9sE-4g8zX:
19.6		 2w9sE-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ILE X  10
ALA X  12
LEU X  25
SER X  64
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
TOP  X 301 (-4.5A)
 0.75A 2w9sF-4g8zX:
19.5		 2w9sF-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.47A 2zzaA-2w9sA:
26.2		 2zzaA-2w9sA:
40.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.64A 2zzaA-2w9sA:
26.2		 2zzaA-2w9sA:
40.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.64A 2zzaA-4g8zX:
20.3		 2zzaA-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 2zzaB-2w9sA:
26.1		 2zzaB-2w9sA:
40.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
ALA X  12
GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.64A 2zzaB-4g8zX:
20.4		 2zzaB-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
LEU A  20
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 4.2A)
None
None
None
 0.53A 3cd2A-2w9sA:
19.6		 3cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
LEU A  20
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 4.2A)
None
None
None
 0.76A 3cd2A-2w9sA:
19.6		 3cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
LEU X  25
GLU X  32
ILE X  33
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
 0.62A 3cd2A-4g8zX:
34.1		 3cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
LEU X  25
GLU X  32
ILE X  33
SER X  34
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
None
None
None
TOP  X 301 ( 4.0A)
None
 0.66A 3cd2A-4g8zX:
34.1		 3cd2A-4g8zX:
95.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
LEU A  54
PRO A  55
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
None
None
None
None
 0.53A 3cl9A-2w9sA:
19.1		 3cl9A-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
THR X  61
SER X  64
PRO X  66
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
None
None
None
 0.55A 3cl9A-4g8zX:
21.4		 3cl9A-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 3clbA-2w9sA:
19.4		 3clbA-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ALA X  12
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.50A 3clbA-4g8zX:
21.9		 3clbA-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
ILE A  50
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
 0.87A 3clbB-2w9sA:
18.5		 3clbB-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
THR X  61
ILE X  65
PRO X  66
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
 0.60A 3clbB-4g8zX:
20.7		 3clbB-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
THR X  61
SER X  64
ILE X  65
PRO X  66
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
 0.83A 3clbB-4g8zX:
20.7		 3clbB-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 3clbC-2w9sA:
19.3		 3clbC-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.99A 3clbC-2w9sA:
19.3		 3clbC-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
THR X  61
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.46A 3clbC-4g8zX:
21.6		 3clbC-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.43A 3clbD-2w9sA:
19.2		 3clbD-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
ILE X  65
PRO X  66
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.41A 3clbD-4g8zX:
21.5		 3clbD-4g8zX:
17.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
ARG A  57
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 3.9A)
None
 0.61A 3datA-2w9sA:
25.6		 3datA-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
GLU X  32
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
None
 0.86A 3datA-4g8zX:
20.8		 3datA-4g8zX:
29.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
 0.43A 3dauA-2w9sA:
26.0		 3dauA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.55A 3dauA-2w9sA:
26.0		 3dauA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
None
 0.57A 3dauA-4g8zX:
20.7		 3dauA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.53A 3dfrA-2w9sA:
23.9		 3dfrA-2w9sA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.83A 3dfrA-2w9sA:
23.9		 3dfrA-2w9sA:
35.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
LEU X  25
SER X  64
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
None
TOP  X 301 (-4.5A)
 0.92A 3dfrA-4g8zX:
20.2		 3dfrA-4g8zX:
28.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
LEU X  25
SER X  64
PRO X  66
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
TOP  X 301 (-4.5A)
 0.84A 3dfrA-4g8zX:
20.2		 3dfrA-4g8zX:
28.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
 0.70A 3drcA-2w9sA:
24.1		 3drcA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.63A 3drcA-2w9sA:
24.1		 3drcA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
 0.72A 3drcA-4g8zX:
19.2		 3drcA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.41A 3drcB-2w9sA:
24.5		 3drcB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.51A 3drcB-2w9sA:
24.5		 3drcB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 3drcB-4g8zX:
19.7		 3drcB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
LEU A  20
SER A  49
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
None
 1.02A 3eigA-2w9sA:
20.1		 3eigA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
None
 0.61A 3eigA-2w9sA:
20.1		 3eigA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
GLU X  32
SER X  64
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.87A 3eigA-4g8zX:
24.7		 3eigA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ALA A   7
LEU A  20
ILE A  50
LEU A  54
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
 0.85A 3fl9A-2w9sA:
24.8		 3fl9A-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
 1.04A 3fl9A-4g8zX:
19.8		 3fl9A-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
TOP  A1160 ( 4.5A)
 0.77A 3fl9B-2w9sA:
24.6		 3fl9B-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.82A 3fl9B-4g8zX:
19.7		 3fl9B-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.72A 3fl9C-2w9sA:
24.6		 3fl9C-2w9sA:
44.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 9 ALA A   7
LEU A  20
ILE A  50
LEU A  54
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
 0.68A 3fl9D-2w9sA:
25.2		 3fl9D-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
 0.82A 3fl9D-4g8zX:
20.0		 3fl9D-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 LEU X  25
GLU X  32
ILE X  65
LEU X  72
TYR X 129
 TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
 1.10A 3fl9D-4g8zX:
20.0		 3fl9D-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.73A 3fl9E-2w9sA:
24.6		 3fl9E-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
LEU X  25
GLU X  32
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
TOP  X 301 (-4.5A)
 0.59A 3fl9E-4g8zX:
19.6		 3fl9E-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 LEU X  25
GLU X  32
ILE X  65
LEU X  72
THR X 144
 TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 1.03A 3fl9E-4g8zX:
19.6		 3fl9E-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
LEU A  20
ILE A  50
LEU A  54
PHE A  92
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
 0.76A 3fl9F-2w9sA:
24.8		 3fl9F-2w9sA:
44.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
TOP  A1160 ( 4.5A)
 0.78A 3fl9G-2w9sA:
24.5		 3fl9G-2w9sA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.84A 3fl9G-4g8zX:
19.6		 3fl9G-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 9 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.74A 3fl9H-2w9sA:
24.8		 3fl9H-2w9sA:
44.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
None
TOP  A1160 ( 4.5A)
 0.34A 3frbX-2w9sA:
30.2		 3frbX-2w9sA:
81.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 11 ALA X  12
LEU X  25
SER X  64
ILE X  65
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.54A 3frbX-4g8zX:
20.0		 3frbX-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.43A 3freX-2w9sA:
30.1		 3freX-2w9sA:
80.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 ALA X  12
LEU X  25
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.56A 3freX-4g8zX:
20.0		 3freX-4g8zX:
29.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
 0.53A 3hbbA-2w9sA:
19.4		 3hbbA-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
 0.50A 3hbbA-4g8zX:
21.9		 3hbbA-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 9 ALA A   7
ASP A  27
THR A  46
SER A  49
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
None
 0.85A 3hbbB-2w9sA:
10.1		 3hbbB-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 ALA X  12
THR X  61
SER X  64
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
 0.70A 3hbbB-4g8zX:
20.8		 3hbbB-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.48A 3hbbC-2w9sA:
19.3		 3hbbC-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ALA X  12
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.48A 3hbbC-4g8zX:
21.6		 3hbbC-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.46A 3hbbD-2w9sA:
19.3		 3hbbD-2w9sA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
ILE X  65
PRO X  66
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.37A 3hbbD-4g8zX:
21.6		 3hbbD-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.65A 3hj3A-2w9sA:
22.3		 3hj3A-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.84A 3hj3A-4g8zX:
22.5		 3hj3A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.93A 3hj3A-4g8zX:
22.5		 3hj3A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
 1.14A 3hj3B-2w9sA:
22.2		 3hj3B-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.64A 3hj3B-2w9sA:
22.2		 3hj3B-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
LYS A  32
THR A  46
ILE A  50
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
 1.12A 3hj3B-2w9sA:
22.2		 3hj3B-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.82A 3hj3B-4g8zX:
22.4		 3hj3B-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.89A 3hj3B-4g8zX:
22.4		 3hj3B-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.59A 3hj3C-2w9sA:
20.8		 3hj3C-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 3hj3C-4g8zX:
9.6		 3hj3C-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
SER X  37
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
None
None
TOP  X 301 (-4.5A)
 0.85A 3hj3C-4g8zX:
9.6		 3hj3C-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.78A 3hj3D-2w9sA:
11.8		 3hj3D-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.67A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.87A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.95A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.63A 3ia4A-2w9sA:
25.8		 3ia4A-2w9sA:
41.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
GLU X  32
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.75A 3ia4A-4g8zX:
20.1		 3ia4A-4g8zX:
29.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		4 / 4 ILE X  10
PHE X  36
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.18A 3ia4A-4g8zX:
20.2		 3ia4A-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.58A 3ia4B-2w9sA:
25.9		 3ia4B-2w9sA:
41.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
GLU X  32
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.71A 3ia4B-4g8zX:
20.3		 3ia4B-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.58A 3ia4C-2w9sA:
25.8		 3ia4C-2w9sA:
41.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
GLU X  32
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.68A 3ia4C-4g8zX:
20.3		 3ia4C-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
 0.61A 3ia4D-2w9sA:
26.0		 3ia4D-2w9sA:
41.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.54A 3ia4D-2w9sA:
26.0		 3ia4D-2w9sA:
41.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
GLU X  32
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.66A 3ia4D-4g8zX:
20.3		 3ia4D-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 3ix9A-2w9sA:
25.1		 3ix9A-2w9sA:
34.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.59A 3ix9A-2w9sA:
25.1		 3ix9A-2w9sA:
34.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
LEU X  25
GLU X  32
LEU X  72
ARG X  75
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.68A 3ix9A-4g8zX:
20.4		 3ix9A-4g8zX:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.58A 3ix9B-2w9sA:
25.2		 3ix9B-2w9sA:
34.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.54A 3ix9B-2w9sA:
25.2		 3ix9B-2w9sA:
34.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
LEU X  25
GLU X  32
LEU X  72
ARG X  75
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.68A 3ix9B-4g8zX:
20.0		 3ix9B-4g8zX:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.91A 3jw3A-2w9sA:
26.0		 3jw3A-2w9sA:
43.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
LEU A  28
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.40A 3jw3A-2w9sA:
26.0		 3jw3A-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
GLU X  32
ILE X  65
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.63A 3jw3A-4g8zX:
21.1		 3jw3A-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
GLU X  32
ILE X  65
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 1.14A 3jw3A-4g8zX:
21.1		 3jw3A-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 9 ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
 0.66A 3jw3B-2w9sA:
26.2		 3jw3B-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 9 ALA X  12
LEU X  25
GLU X  32
ILE X  65
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
 0.72A 3jw3B-4g8zX:
21.2		 3jw3B-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 ALA X  12
LEU X  25
GLU X  32
ILE X  65
LEU X  72
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
 1.11A 3jw3B-4g8zX:
21.2		 3jw3B-4g8zX:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
LEU A  20
LEU A  28
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.42A 3jw5A-2w9sA:
26.1		 3jw5A-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
LEU X  25
GLU X  32
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.67A 3jw5A-4g8zX:
21.1		 3jw5A-4g8zX:
27.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.53A 3jw5B-2w9sA:
26.1		 3jw5B-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 10 ALA X  12
LEU X  25
GLU X  32
ILE X  65
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.90A 3jw5B-4g8zX:
21.1		 3jw5B-4g8zX:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.69A 3k2hA-2w9sA:
21.6		 3k2hA-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.72A 3k2hA-4g8zX:
23.6		 3k2hA-4g8zX:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
None
 0.72A 3k2hB-2w9sA:
20.8		 3k2hB-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
 TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
 1.07A 3k2hB-2w9sA:
20.8		 3k2hB-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
None
 0.70A 3k2hB-4g8zX:
7.2		 3k2hB-4g8zX:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.65A 3k2hB-4g8zX:
7.2		 3k2hB-4g8zX:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 11 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.67A 3n0hA-2w9sA:
20.8		 3n0hA-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 11 ILE X  10
ALA X  12
GLU X  32
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.50A 3n0hA-4g8zX:
24.8		 3n0hA-4g8zX:
37.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.45A 3nrrA-2w9sA:
20.7		 3nrrA-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
THR X  61
ILE X  65
PRO X  66
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 (-4.5A)
 0.40A 3nrrA-4g8zX:
23.0		 3nrrA-4g8zX:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.45A 3nrrB-2w9sA:
21.6		 3nrrB-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
HIS A  23
ASP A  27
THR A  46
THR A 111
 TOP  A1160 ( 3.6A)
None
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 ( 4.5A)
 0.76A 3nrrB-2w9sA:
21.6		 3nrrB-2w9sA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
THR X  61
ILE X  65
PRO X  66
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 (-4.5A)
 0.41A 3nrrB-4g8zX:
23.9		 3nrrB-4g8zX:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 1.18A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
SER A  49
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.69A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.21A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
SER X  64
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.61A 3qfxA-4g8zX:
22.5		 3qfxA-4g8zX:
28.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.24A 3qfxA-4g8zX:
22.5		 3qfxA-4g8zX:
28.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 1.16A 3qfxB-2w9sA:
19.6		 3qfxB-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
SER A  49
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.70A 3qfxB-2w9sA:
19.6		 3qfxB-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.22A 3qfxB-2w9sA:
19.6		 3qfxB-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
SER X  64
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.62A 3qfxB-4g8zX:
22.5		 3qfxB-4g8zX:
28.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.23A 3qfxB-4g8zX:
22.5		 3qfxB-4g8zX:
28.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.74A 3qg2A-2w9sA:
20.6		 3qg2A-2w9sA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 10 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.56A 3qg2A-4g8zX:
21.9		 3qg2A-4g8zX:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 11 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.72A 3qg2B-2w9sA:
20.6		 3qg2B-2w9sA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.54A 3qg2B-4g8zX:
21.9		 3qg2B-4g8zX:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.70A 3qgtA-2w9sA:
20.7		 3qgtA-2w9sA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 10 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 3qgtA-4g8zX:
22.0		 3qgtA-4g8zX:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.71A 3qgtB-2w9sA:
20.3		 3qgtB-2w9sA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 10 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 3qgtB-4g8zX:
21.7		 3qgtB-4g8zX:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.56A 3ql0A-2w9sA:
26.0		 3ql0A-2w9sA:
38.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.52A 3ql0A-4g8zX:
20.6		 3ql0A-4g8zX:
30.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.45A 3ql3A-2w9sA:
26.0		 3ql3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.84A 3ql3A-2w9sA:
26.0		 3ql3A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
ILE X  65
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 3ql3A-4g8zX:
20.5		 3ql3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.71A 3s3vA-2w9sA:
20.5		 3s3vA-2w9sA:
32.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
GLU X  32
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.51A 3s3vA-4g8zX:
24.7		 3s3vA-4g8zX:
36.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 9 ILE A   5
ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.25A 3tq8A-2w9sA:
25.8		 3tq8A-2w9sA:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 9 ILE X  10
ALA X  12
LEU X  25
PHE X  36
SER X  64
ILE X  65
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.47A 3tq8A-4g8zX:
20.5		 3tq8A-4g8zX:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		11 / 12 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.55A 3tq9A-2w9sA:
25.4		 3tq9A-2w9sA:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.65A 3tq9A-4g8zX:
20.2		 3tq9A-4g8zX:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.83A 3tqbA-2w9sA:
24.8		 3tqbA-2w9sA:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 3tqbA-2w9sA:
24.8		 3tqbA-2w9sA:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.63A 3tqbA-4g8zX:
20.2		 3tqbA-4g8zX:
30.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 10 ILE A   5
ASP A  27
THR A  46
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.77A 3um5A-2w9sA:
20.8		 3um5A-2w9sA:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 10 ILE X  10
PHE X  36
THR X  61
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 3um5A-4g8zX:
21.8		 3um5A-4g8zX:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
ASP A  27
THR A  46
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.55A 3um5B-2w9sA:
20.5		 3um5B-2w9sA:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
THR A  46
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.79A 3um5B-2w9sA:
20.5		 3um5B-2w9sA:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 10 ILE X  10
PHE X  36
THR X  61
SER X  64
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 3um5B-4g8zX:
21.6		 3um5B-4g8zX:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.62A 4cd2A-2w9sA:
18.4		 4cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
GLU X  32
ILE X  33
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.43A 4cd2A-4g8zX:
31.2		 4cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
 0.69A 4dfrA-2w9sA:
24.1		 4dfrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.66A 4dfrA-2w9sA:
24.1		 4dfrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
THR X  61
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.75A 4dfrA-4g8zX:
19.1		 4dfrA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.53A 4dfrB-2w9sA:
24.4		 4dfrB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 4dfrB-4g8zX:
19.5		 4dfrB-4g8zX:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 4eckA-2w9sA:
19.3		 4eckA-2w9sA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
LEU X  25
PHE X  36
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
None
None
TOP  X 301 (-4.5A)
 0.56A 4eckA-4g8zX:
21.7		 4eckA-4g8zX:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
None
TOP  X 301 (-4.5A)
 0.72A 4eckA-4g8zX:
21.7		 4eckA-4g8zX:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.74A 4eckB-2w9sA:
19.3		 4eckB-2w9sA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
LEU X  25
PHE X  36
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
None
None
TOP  X 301 (-4.5A)
 0.72A 4eckB-4g8zX:
21.3		 4eckB-4g8zX:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
PHE X  36
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
None
TOP  X 301 (-4.5A)
 0.87A 4eckB-4g8zX:
21.3		 4eckB-4g8zX:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.51A 4eilA-2w9sA:
20.6		 4eilA-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.66A 4eilB-2w9sA:
20.9		 4eilB-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.54A 4eilC-2w9sA:
20.6		 4eilC-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.69A 4eilC-4g8zX:
23.7		 4eilC-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 4eilE-2w9sA:
21.2		 4eilE-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.66A 4eilE-4g8zX:
24.3		 4eilE-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 9 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.64A 4eilF-2w9sA:
20.1		 4eilF-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 9 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.56A 4eilF-4g8zX:
22.0		 4eilF-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.54A 4eilG-2w9sA:
20.6		 4eilG-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.69A 4eilG-4g8zX:
23.4		 4eilG-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 9 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 4eilH-2w9sA:
13.4		 4eilH-2w9sA:
15.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
 0.65A 4ej1A-2w9sA:
23.9		 4ej1A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.45A 4ej1A-2w9sA:
23.9		 4ej1A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.50A 4ej1A-4g8zX:
18.9		 4ej1A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.74A 4ej1B-2w9sA:
24.0		 4ej1B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 4ej1B-2w9sA:
24.0		 4ej1B-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.46A 4ej1B-4g8zX:
18.9		 4ej1B-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.62A 4fhbA-2w9sA:
24.7		 4fhbA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.46A 4fhbA-2w9sA:
24.7		 4fhbA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 4fhbA-4g8zX:
19.4		 4fhbA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
ALA A   7
LEU A  20
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.24A 4g8zX-2w9sA:
19.9		 4g8zX-2w9sA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ILE A  31
ALA A   7
LEU A  20
SER A  49
THR A 111
 TOP  A1160 (-4.8A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
TOP  A1160 ( 4.5A)
 1.13A 4g8zX-2w9sA:
19.9		 4g8zX-2w9sA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.65A 4gh8A-2w9sA:
25.1		 4gh8A-2w9sA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.80A 4gh8A-4g8zX:
21.0		 4gh8A-4g8zX:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
 0.62A 4gh8B-2w9sA:
24.8		 4gh8B-2w9sA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
 0.68A 4gh8B-2w9sA:
24.8		 4gh8B-2w9sA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
PRO X  66
ASN X  69
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
 0.91A 4gh8B-4g8zX:
20.9		 4gh8B-4g8zX:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
 0.72A 4i13A-2w9sA:
23.7		 4i13A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.55A 4i13A-2w9sA:
23.7		 4i13A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.42A 4i13A-4g8zX:
18.9		 4i13A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		3 / 3 ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.51A 4i13A-2w9sA:
23.7		 4i13A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.71A 4i1nA-2w9sA:
23.6		 4i1nA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
None
TOP  X 301 (-4.5A)
 0.34A 4i1nA-4g8zX:
19.0		 4i1nA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kebB-2w9sA:
20.6		 4kebB-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.49A 4kebB-4g8zX:
25.6		 4kebB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.70A 4kfjB-2w9sA:
20.7		 4kfjB-2w9sA:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4kfjB-4g8zX:
25.4		 4kfjB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LYS A  32
THR A  46
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
NDP  A1159 (-3.3A)
None
None
 0.68A 4kjjA-2w9sA:
24.8		 4kjjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.38A 4kjjA-2w9sA:
24.8		 4kjjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.48A 4kjjA-4g8zX:
19.6		 4kjjA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.50A 4kjjA-2w9sA:
24.8		 4kjjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LYS A  32
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.56A 4kjkA-2w9sA:
25.6		 4kjkA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.53A 4kjkA-4g8zX:
20.3		 4kjkA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJK_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.51A 4kjkA-2w9sA:
25.6		 4kjkA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LYS A  32
THR A  46
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.68A 4kjlA-2w9sA:
25.4		 4kjlA-2w9sA:
38.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.33A 4kjlA-2w9sA:
25.4		 4kjlA-2w9sA:
38.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 4kjlA-4g8zX:
20.0		 4kjlA-4g8zX:
30.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ILE A   5
ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.58A 4km0A-2w9sA:
21.9		 4km0A-2w9sA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 10 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.54A 4km0A-4g8zX:
19.0		 4km0A-4g8zX:
29.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.53A 4km0B-2w9sA:
22.3		 4km0B-2w9sA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 4km0B-4g8zX:
19.3		 4km0B-4g8zX:
29.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 4km2A-2w9sA:
22.7		 4km2A-2w9sA:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
THR A  46
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.63A 4km2A-2w9sA:
22.7		 4km2A-2w9sA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.48A 4km2A-4g8zX:
19.2		 4km2A-4g8zX:
29.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.60A 4km2B-2w9sA:
22.1		 4km2B-2w9sA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.43A 4km2B-4g8zX:
19.0		 4km2B-4g8zX:
29.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ILE X  10
PHE X  36
THR X  61
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 ( 4.0A)
None
 0.49A 4km2B-4g8zX:
19.0		 4km2B-4g8zX:
29.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 1.13A 4ky8A-2w9sA:
9.3		 4ky8A-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.81A 4ky8A-2w9sA:
9.3		 4ky8A-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.68A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
LYS X  30
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 1.02A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
SER X  37
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.84A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.70A 4ky8B-2w9sA:
15.7		 4ky8B-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.75A 4ky8B-4g8zX:
16.6		 4ky8B-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
SER X  37
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.88A 4ky8B-4g8zX:
16.6		 4ky8B-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 1.17A 4ky8C-2w9sA:
21.9		 4ky8C-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.81A 4ky8C-2w9sA:
21.9		 4ky8C-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.85A 4ky8C-4g8zX:
22.5		 4ky8C-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
SER X  37
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.91A 4ky8C-4g8zX:
22.5		 4ky8C-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 1.12A 4ky8D-2w9sA:
18.3		 4ky8D-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 4ky8D-2w9sA:
18.3		 4ky8D-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.75A 4ky8D-4g8zX:
19.0		 4ky8D-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
LYS X  30
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 1.01A 4ky8D-4g8zX:
19.0		 4ky8D-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
SER X  37
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.90A 4ky8D-4g8zX:
19.0		 4ky8D-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 1.12A 4ky8E-2w9sA:
21.8		 4ky8E-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.73A 4ky8E-2w9sA:
21.8		 4ky8E-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.77A 4ky8E-4g8zX:
22.4		 4ky8E-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
LYS X  30
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 1.02A 4ky8E-4g8zX:
22.4		 4ky8E-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
SER X  37
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.91A 4ky8E-4g8zX:
22.4		 4ky8E-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.94A 4kyaA-2w9sA:
20.6		 4kyaA-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.58A 4kyaA-2w9sA:
20.6		 4kyaA-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 11 ALA X  12
SER X  37
THR X  61
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
None
None
TOP  X 301 (-4.5A)
 0.69A 4kyaA-4g8zX:
23.6		 4kyaA-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kyaB-2w9sA:
20.7		 4kyaB-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.51A 4kyaB-4g8zX:
22.5		 4kyaB-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 4kyaC-2w9sA:
14.9		 4kyaC-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.66A 4kyaC-4g8zX:
17.7		 4kyaC-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kyaD-2w9sA:
13.4		 4kyaD-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 4kyaD-4g8zX:
15.2		 4kyaD-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.96A 4kyaE-2w9sA:
20.6		 4kyaE-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 4kyaE-2w9sA:
20.6		 4kyaE-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.68A 4kyaE-4g8zX:
23.5		 4kyaE-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
THR X  61
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
None
None
TOP  X 301 (-4.5A)
 0.31A 4kyaE-4g8zX:
23.5		 4kyaE-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kyaF-2w9sA:
13.3		 4kyaF-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.56A 4kyaF-4g8zX:
15.2		 4kyaF-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.96A 4kyaG-2w9sA:
20.5		 4kyaG-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.58A 4kyaG-2w9sA:
20.5		 4kyaG-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.67A 4kyaG-4g8zX:
23.5		 4kyaG-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 11 ALA X  12
THR X  61
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
None
None
TOP  X 301 (-4.5A)
 0.29A 4kyaG-4g8zX:
23.5		 4kyaG-4g8zX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.71A 4kyaH-2w9sA:
19.9		 4kyaH-2w9sA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.45A 4kyaH-4g8zX:
21.8		 4kyaH-4g8zX:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
 0.49A 4m2xA-2w9sA:
23.0		 4m2xA-2w9sA:
31.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
PRO X  66
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
 0.57A 4m2xA-4g8zX:
19.8		 4m2xA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.43A 4m2xC-2w9sA:
8.3		 4m2xC-2w9sA:
31.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 4m2xC-4g8zX:
20.0		 4m2xC-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
 0.45A 4m2xE-2w9sA:
8.2		 4m2xE-2w9sA:
31.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
 0.59A 4m2xE-4g8zX:
20.0		 4m2xE-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.21A 4m2xG-2w9sA:
8.2		 4m2xG-2w9sA:
31.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ILE X  10
ALA X  12
PRO X  66
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.38A 4m2xG-4g8zX:
20.2		 4m2xG-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 4m6kA-2w9sA:
21.1		 4m6kA-2w9sA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		10 / 12 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
PRO X  66
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4m6kA-4g8zX:
25.3		 4m6kA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.36A 4nx6A-2w9sA:
26.0		 4nx6A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.55A 4nx6A-4g8zX:
20.5		 4nx6A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX6_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 4 ILE A   5
ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.46A 4nx6A-2w9sA:
26.0		 4nx6A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.40A 4nx7A-2w9sA:
26.1		 4nx7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.57A 4nx7A-4g8zX:
20.5		 4nx7A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NX7_A_FOLA202_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 4 ILE A   5
ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.48A 4nx7A-2w9sA:
26.1		 4nx7A-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
PRO A  55
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.37A 4p3qA-2w9sA:
26.0		 4p3qA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.48A 4p3qA-4g8zX:
20.5		 4p3qA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 5 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.65A 4p3qA-2w9sA:
26.0		 4p3qA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.54A 4p3rA-2w9sA:
26.1		 4p3rA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.53A 4p3rA-4g8zX:
20.4		 4p3rA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		3 / 3 ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.53A 4p3rA-2w9sA:
26.1		 4p3rA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.54A 4p66A-2w9sA:
26.0		 4p66A-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.33A 4p66A-4g8zX:
20.5		 4p66A-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ILE A   5
ASP A  27
LYS A  32
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
None
None
TOP  A1160 ( 4.5A)
 0.76A 4p68A-2w9sA:
25.9		 4p68A-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 11 ILE A   5
ASP A  27
SER A  49
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.55A 4p68A-2w9sA:
25.9		 4p68A-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
PHE X  36
SER X  64
ILE X  65
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 4p68A-4g8zX:
20.4		 4p68A-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.42A 4pssA-2w9sA:
undetectable		 4pssA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
 0.54A 4pssA-4g8zX:
undetectable		 4pssA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 4 ASP A  27
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 4pssA-2w9sA:
undetectable		 4pssA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 4pstA-2w9sA:
undetectable		 4pstA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.59A 4pstA-4g8zX:
undetectable		 4pstA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		3 / 3 ILE A   5
ASP A  27
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
 0.43A 4pstA-2w9sA:
undetectable		 4pstA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.37A 4psyA-2w9sA:
26.0		 4psyA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.64A 4psyA-2w9sA:
26.0		 4psyA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.56A 4psyA-4g8zX:
20.4		 4psyA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.56A 4pthA-2w9sA:
25.8		 4pthA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 4pthA-4g8zX:
20.3		 4pthA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.37A 4ptjA-2w9sA:
25.8		 4ptjA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.45A 4ptjA-4g8zX:
20.6		 4ptjA-4g8zX:
30.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 4q0dA-2w9sA:
22.0		 4q0dA-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.78A 4q0dA-4g8zX:
22.2		 4q0dA-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
SER X  37
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.91A 4q0dA-4g8zX:
22.2		 4q0dA-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 4q0dB-2w9sA:
22.0		 4q0dB-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.78A 4q0dB-4g8zX:
22.2		 4q0dB-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
SER X  37
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.91A 4q0dB-4g8zX:
22.2		 4q0dB-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.75A 4q0dC-2w9sA:
21.9		 4q0dC-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.86A 4q0dC-4g8zX:
22.1		 4q0dC-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.65A 4q0dC-4g8zX:
22.1		 4q0dC-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.75A 4q0dD-2w9sA:
21.9		 4q0dD-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
SER X  64
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.86A 4q0dD-4g8zX:
22.2		 4q0dD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 12 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.65A 4q0dD-4g8zX:
22.2		 4q0dD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 4q0dE-2w9sA:
22.0		 4q0dE-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 12 ALA X  12
LEU X  25
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.78A 4q0dE-4g8zX:
22.2		 4q0dE-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		6 / 12 ALA X  12
SER X  37
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.91A 4q0dE-4g8zX:
22.2		 4q0dE-4g8zX:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 4qi9A-2w9sA:
22.4		 4qi9A-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.61A 4qi9A-2w9sA:
22.4		 4qi9A-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.77A 4qi9A-4g8zX:
17.9		 4qi9A-4g8zX:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.67A 4qi9B-2w9sA:
23.1		 4qi9B-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.59A 4qi9B-2w9sA:
23.1		 4qi9B-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.71A 4qi9B-4g8zX:
18.3		 4qi9B-4g8zX:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.68A 4qi9C-2w9sA:
21.9		 4qi9C-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.62A 4qi9C-2w9sA:
21.9		 4qi9C-2w9sA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 4qi9C-4g8zX:
17.5		 4qi9C-4g8zX:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.06A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.74A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.46A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4qleA-4g8zX:
19.6		 4qleA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 4qleB-2w9sA:
24.6		 4qleB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 4qleB-2w9sA:
24.6		 4qleB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.74A 4qleB-4g8zX:
19.6		 4qleB-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 4qlfA-2w9sA:
21.6		 4qlfA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 11 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.57A 4qlfA-4g8zX:
16.6		 4qlfA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 4qlgA-2w9sA:
24.6		 4qlgA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 4qlgA-4g8zX:
19.5		 4qlgA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		11 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.65A 4qlgB-2w9sA:
24.2		 4qlgB-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.55A 4qlgB-4g8zX:
19.3		 4qlgB-4g8zX:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		4 / 8 ILE A   5
LEU A  79
ILE A  76
PHE A  92
 TOP  A1160 (-4.2A)
NDP  A1159 ( 4.4A)
None
TOP  A1160 ( 3.9A)
 0.82A 4r38A-2w9sA:
undetectable		 4r38A-2w9sA:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.63A 4rgcA-2w9sA:
26.1		 4rgcA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.54A 4rgcA-4g8zX:
20.6		 4rgcA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.40A 4x5fA-2w9sA:
24.6		 4x5fA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.78A 4x5fA-2w9sA:
24.6		 4x5fA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.48A 4x5fA-4g8zX:
19.2		 4x5fA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.41A 4x5fB-2w9sA:
24.7		 4x5fB-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
 TOP  A1160 (-4.2A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.81A 4x5fB-2w9sA:
24.7		 4x5fB-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.46A 4x5fB-4g8zX:
19.5		 4x5fB-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.06A 4x5gA-2w9sA:
24.6		 4x5gA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.48A 4x5gA-2w9sA:
24.6		 4x5gA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.50A 4x5gA-4g8zX:
19.2		 4x5gA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.47A 4x5gB-2w9sA:
24.8		 4x5gB-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.49A 4x5gB-4g8zX:
19.7		 4x5gB-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 4x5hA-2w9sA:
24.2		 4x5hA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.50A 4x5hA-4g8zX:
19.0		 4x5hA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.54A 4x5iA-2w9sA:
24.1		 4x5iA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.53A 4x5iA-4g8zX:
18.9		 4x5iA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.42A 4x5jA-2w9sA:
24.1		 4x5jA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 4x5jA-4g8zX:
18.9		 4x5jA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.50A 5e8qA-2w9sA:
24.3		 5e8qA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.40A 5e8qA-2w9sA:
24.3		 5e8qA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 5e8qA-4g8zX:
19.3		 5e8qA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		3 / 3 ASP A  27
LEU A  54
ARG A  57
 TOP  A1160 (-2.8A)
None
None
 0.52A 5e8qA-2w9sA:
24.3		 5e8qA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.66A 5e8qB-2w9sA:
24.4		 5e8qB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.45A 5e8qB-2w9sA:
24.4		 5e8qB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.55A 5e8qB-4g8zX:
19.5		 5e8qB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.62A 5eajA-2w9sA:
24.3		 5eajA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.53A 5eajA-2w9sA:
24.3		 5eajA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 5eajA-4g8zX:
19.4		 5eajA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.72A 5eajB-2w9sA:
24.5		 5eajB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.48A 5eajB-2w9sA:
24.5		 5eajB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.55A 5eajB-4g8zX:
19.5		 5eajB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 5hi6A-2w9sA:
24.2		 5hi6A-2w9sA:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.65A 5hi6A-2w9sA:
24.2		 5hi6A-2w9sA:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.82A 5hi6A-4g8zX:
19.6		 5hi6A-4g8zX:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.47A 5hi6B-2w9sA:
24.1		 5hi6B-2w9sA:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.79A 5hi6B-2w9sA:
24.1		 5hi6B-2w9sA:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.66A 5hi6B-2w9sA:
24.1		 5hi6B-2w9sA:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.80A 5hi6B-4g8zX:
19.3		 5hi6B-4g8zX:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.35A 5uihA-2w9sA:
24.0		 5uihA-2w9sA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 8 ILE X  10
ALA X  12
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.23A 5uihA-4g8zX:
18.7		 5uihA-4g8zX:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 5ujxA-2w9sA:
24.3		 5ujxA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 5ujxA-2w9sA:
24.3		 5ujxA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.56A 5ujxA-4g8zX:
19.3		 5ujxA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
TOP  A1160 ( 4.5A)
 0.65A 5ujxB-2w9sA:
24.4		 5ujxB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.47A 5ujxB-2w9sA:
24.4		 5ujxB-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.57A 5ujxB-4g8zX:
19.5		 5ujxB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 5z6fA-2w9sA:
26.0		 5z6fA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		8 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.53A 5z6fA-4g8zX:
20.6		 5z6fA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.70A 5z6jA-2w9sA:
26.1		 5z6jA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.45A 5z6jA-2w9sA:
26.1		 5z6jA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.52A 5z6jA-4g8zX:
20.7		 5z6jA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 5z6kA-2w9sA:
26.0		 5z6kA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 5z6kA-2w9sA:
26.0		 5z6kA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 5z6kA-4g8zX:
20.7		 5z6kA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
PRO A  55
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
 0.61A 5z6lA-2w9sA:
25.5		 5z6lA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
PRO A  55
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.82A 5z6lA-2w9sA:
25.5		 5z6lA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 11 ALA A   7
ASP A  27
LEU A  28
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.99A 5z6mA-2w9sA:
24.7		 5z6mA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 11 ILE A   5
ALA A   7
LEU A  28
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.83A 5z6mA-2w9sA:
24.7		 5z6mA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		7 / 11 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.45A 5z6mA-4g8zX:
19.9		 5z6mA-4g8zX:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ALA A   7
ASP A  27
HIS A  30
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.52A 6aogA-2w9sA:
20.5		 6aogA-2w9sA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
PHE X  36
THR X  61
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 (-4.5A)
 0.29A 6aogA-4g8zX:
23.6		 6aogA-4g8zX:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		6 / 10 ALA A   7
ASP A  27
HIS A  30
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.52A 6aogB-2w9sA:
20.5		 6aogB-2w9sA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		5 / 10 ALA X  12
PHE X  36
THR X  61
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 (-4.5A)
 0.29A 6aogB-4g8zX:
23.3		 6aogB-4g8zX:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		5 / 12 ILE A   5
ALA A   7
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
None
TOP  A1160 ( 4.5A)
 0.74A 7dfrA-2w9sA:
25.7		 7dfrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		7 / 12 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.39A 7dfrA-2w9sA:
25.7		 7dfrA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4g8z DIHYDROFOLATE
REDUCTASE
(Pneumocystis
jirovecii) 		9 / 12 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 7dfrA-4g8zX:
20.5		 7dfrA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003
(Staphylococcus
aureus) 		3 / 3 ASP A  27
LEU A  28
ARG A  57
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
 0.35A 7dfrA-2w9sA:
25.7		 7dfrA-2w9sA:
38.51