SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '486'


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.
1A28_A_STRA1_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.76A 1a28A-5uc1A:
25.0		 1a28A-5uc1A:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.79A 1a28B-5uc1A:
25.0		 1a28B-5uc1A:
56.25
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.85A 1ao8A-1zdrA:
22.0		 1ao8A-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
 0.79A 1ao8A-1zdrA:
22.0		 1ao8A-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  54
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
 0.68A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
 0.81A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
None
 0.80A 1bzfA-1zdrA:
21.8		 1bzfA-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LYS A  32
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.64A 1cd2A-1zdrA:
19.4		 1cd2A-1zdrA:
34.80
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.44A 1d1gA-1zdrA:
19.1		 1d1gA-1zdrA:
32.77
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.48A 1d1gB-1zdrA:
19.2		 1d1gB-1zdrA:
32.77
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.69A 1ddrA-1zdrA:
23.7		 1ddrA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.57A 1ddrB-1zdrA:
24.0		 1ddrB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.68A 1ddrB-1zdrA:
24.0		 1ddrB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.64A 1ddsA-1zdrA:
24.0		 1ddsA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.69A 1ddsB-1zdrA:
24.3		 1ddsB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.70A 1ddsB-1zdrA:
24.3		 1ddsB-1zdrA:
40.49
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		7 / 12 HIS A  80
TYR A  82
LEU A 173
ASP A 206
HIS A 296
ASP A 297
ARG A 344
 None
None
None
CA  A 486 (-3.0A)
None
CA  A 486 ( 4.6A)
None
 0.65A 1dedA-2aaaA:
41.0		 1dedA-2aaaA:
26.03
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		6 / 12 HIS A  80
TYR A  82
LEU A 173
GLU A 230
ASP A 297
ARG A 344
 None
None
None
CA  A 486 (-2.5A)
CA  A 486 ( 4.6A)
None
 1.07A 1dedA-2aaaA:
41.0		 1dedA-2aaaA:
26.03
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		9 / 12 HIS A  80
TYR A  82
LEU A 173
ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
ARG A 344
 None
None
None
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
None
 0.72A 1dedB-2aaaA:
40.0		 1dedB-2aaaA:
26.03
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ARG A  57
ILE A  96
 None
None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.39A 1df7A-1zdrA:
22.6		 1df7A-1zdrA:
34.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
None
 0.54A 1dg5A-1zdrA:
22.6		 1dg5A-1zdrA:
34.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 1dhfA-1zdrA:
20.7		 1dhfA-1zdrA:
33.51
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.57A 1dhfB-1zdrA:
20.7		 1dhfB-1zdrA:
33.51
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.63A 1dhiA-1zdrA:
23.9		 1dhiA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 11 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.60A 1dhiB-1zdrA:
24.5		 1dhiB-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.64A 1dhjA-1zdrA:
23.9		 1dhjA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
PRO A  55
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
None
None
 0.66A 1dhjB-1zdrA:
24.5		 1dhjB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LYS A  32
ILE A  50
LEU A  54
PRO A  55
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
None
None
 0.72A 1dhjB-1zdrA:
24.5		 1dhjB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A   5
ALA A   7
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.58A 1dlsA-1zdrA:
20.5		 1dlsA-1zdrA:
32.98
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.65A 1draA-1zdrA:
24.0		 1draA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.63A 1draB-1zdrA:
24.5		 1draB-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.66A 1drbA-1zdrA:
23.9		 1drbA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.64A 1drbB-1zdrA:
24.4		 1drbB-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.69A 1dreA-1zdrA:
25.2		 1dreA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
 0.62A 1drfA-1zdrA:
20.4		 1drfA-1zdrA:
33.51
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.55A 1dyiA-1zdrA:
24.1		 1dyiA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.51A 1dyiB-1zdrA:
24.5		 1dyiB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.49A 1dyrA-1zdrA:
19.5		 1dyrA-1zdrA:
34.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 597
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
 0.86A 1gs4A-5uc1A:
23.3		 1gs4A-5uc1A:
51.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 4.7A)
 1.00A 1gs4A-5uc1A:
23.3		 1gs4A-5uc1A:
51.25
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.46A 1j3jA-1zdrA:
20.6		 1j3jA-1zdrA:
22.58
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 9 ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.30A 1j3jB-1zdrA:
20.3		 1j3jB-1zdrA:
22.58
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.61A 1jolA-1zdrA:
24.0		 1jolA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
LEU A  54
PRO A  55
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.66A 1jolB-1zdrA:
24.5		 1jolB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.67A 1jolB-1zdrA:
24.5		 1jolB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 11 ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.55A 1jomA-1zdrA:
23.9		 1jomA-1zdrA:
40.49
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M
(Escherichia
coli) 		5 / 11 PHE M 274
ILE M 189
GLY M 226
PHE M 227
ALA M 180
 None
None
LFA  N 486 ( 4.1A)
None
None
 1.39A 1ju6A-3rkoM:
undetectable		 1ju6A-3rkoM:
21.58
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.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		3 / 3 ARG A  10
GLY A 106
ASP A 110
 HDF  A5486 (-4.9A)
HDF  A5486 (-3.1A)
None
 0.46A 1kf6A-1tezA:
undetectable
1kf6B-1tezA:
undetectable		 1kf6A-1tezA:
21.28
1kf6B-1tezA:
17.99
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.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		5 / 11 LEU A 193
LEU A 191
ALA A  67
VAL A 188
LEU A 160
 None
None
None
MCA  A 486 ( 4.1A)
None
 0.95A 1kt7A-3nyqA:
undetectable		 1kt7A-3nyqA:
17.62
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		3 / 3 ARG A  14
ARG A  11
ARG A 255
 None
HDF  A5486 ( 4.9A)
None
 1.11A 1l7hA-1tezA:
undetectable		 1l7hA-1tezA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M2Z_A_DEXA301_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.67A 1m2zA-5uc1A:
26.2		 1m2zA-5uc1A:
95.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M2Z_A_DEXA301_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.78A 1m2zA-5uc1A:
26.2		 1m2zA-5uc1A:
95.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M2Z_D_DEXD401_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.79A 1m2zD-5uc1A:
26.1		 1m2zD-5uc1A:
95.00
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		7 / 12 TYR A  82
HIS A 122
ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 None
None
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.33A 1mxdA-2aaaA:
31.4		 1mxdA-2aaaA:
24.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
GLY A 563
GLN A 566
VAL A 567
MET A 600
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.78A 1nhzA-5uc1A:
26.9		 1nhzA-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
GLY A 563
GLN A 566
VAL A 567
MET A 600
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.68A 1nhzA-5uc1A:
26.9		 1nhzA-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
GLY A 563
GLN A 566
VAL A 567
MET A 600
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.38A 1nhzA-5uc1A:
26.9		 1nhzA-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 VAL A 567
MET A 600
LEU A 604
ARG A 607
GLN A 641
 None
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
CPS  A 803 (-3.5A)
 1.39A 1nhzA-5uc1A:
26.9		 1nhzA-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.81A 1p93A-5uc1A:
25.4		 1p93A-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 597
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-4.6A)
 0.96A 1p93A-5uc1A:
25.4		 1p93A-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
GLN A 638
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-4.6A)
 1.05A 1p93A-5uc1A:
25.4		 1p93A-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_B_DEXB2999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.75A 1p93B-5uc1A:
25.1		 1p93B-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
GLN A 638
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 1.00A 1p93C-5uc1A:
25.2		 1p93C-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.79A 1p93C-5uc1A:
25.2		 1p93C-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_D_DEXD4999_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.78A 1p93D-5uc1A:
25.0		 1p93D-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P93_D_DEXD4999_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 5 TRP A 596
MET A 600
LEU A 604
GLN A 641
 None
None
486  A 801 ( 3.8A)
CPS  A 803 (-3.5A)
 1.17A 1p93D-5uc1A:
25.0		 1p93D-5uc1A:
75.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.61A 1qzfA-1zdrA:
13.0		 1qzfA-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.60A 1qzfB-1zdrA:
20.0		 1qzfB-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.61A 1qzfC-1zdrA:
13.6		 1qzfC-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.62A 1qzfD-1zdrA:
13.0		 1qzfD-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.61A 1qzfE-1zdrA:
13.1		 1qzfE-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.54A 1ra2A-1zdrA:
24.4		 1ra2A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.52A 1ra3A-1zdrA:
24.4		 1ra3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.57A 1ra3A-1zdrA:
24.4		 1ra3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.52A 1ra8A-1zdrA:
24.3		 1ra8A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.47A 1rb2A-1zdrA:
24.6		 1rb2A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.58A 1rb2B-1zdrA:
24.3		 1rb2B-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 10 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
None
 0.57A 1rb3A-1zdrA:
24.5		 1rb3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.95A 1rb3B-1zdrA:
24.4		 1rb3B-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.46A 1rd7A-1zdrA:
24.0		 1rd7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 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
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.46A 1rd7B-1zdrA:
23.8		 1rd7B-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.53A 1re7A-1zdrA:
24.2		 1re7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
LEU A  54
PRO A  55
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
None
 0.45A 1re7B-1zdrA:
23.8		 1re7B-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
ILE A  50
LEU A  54
PRO A  55
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
None
 0.43A 1re7B-1zdrA:
23.8		 1re7B-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 1.08A 1rg7A-1zdrA:
22.9		 1rg7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
LYS A  32
THR A  46
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.68A 1rg7A-1zdrA:
22.9		 1rg7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.62A 1rg7A-1zdrA:
22.9		 1rg7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.64A 1rh3A-1zdrA:
25.1		 1rh3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.78A 1rx2A-1zdrA:
25.5		 1rx2A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.63A 1rx3A-1zdrA:
25.5		 1rx3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		11 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.53A 1rx7A-1zdrA:
23.6		 1rx7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.75A 1rx8A-1zdrA:
25.3		 1rx8A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.55A 1rx8A-1zdrA:
25.3		 1rx8A-1zdrA:
40.49
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 5 PHE A 442
LEU A 486
MET A  79
LEU A 120
 PHE  A 442 ( 1.3A)
LEU  A 486 ( 0.6A)
MET  A  79 ( 0.0A)
LEU  A 120 ( 0.6A)
 1.10A 1skxA-3gnrA:
undetectable		 1skxA-3gnrA:
20.41
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.
1SQN_A_NDRA1001_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 ( 3.8A)
 0.87A 1sqnA-5uc1A:
24.6		 1sqnA-5uc1A:
undetectable
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
 0.78A 1sqnB-5uc1A:
24.8		 1sqnB-5uc1A:
undetectable
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
LEU A 562
GLN A 566
MET A 597
MET A 600
MET A 642
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 ( 3.8A)
 0.83A 1sqnB-5uc1A:
24.8		 1sqnB-5uc1A:
undetectable
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
LEU A 559
LEU A 604
MET A 642
LEU A 617
 486  A 801 ( 4.8A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
None
 0.99A 1sqnB-5uc1A:
24.8		 1sqnB-5uc1A:
undetectable
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
MET A 635
LEU A 604
MET A 642
LEU A 617
 486  A 801 ( 4.8A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
None
 0.85A 1sqnB-5uc1A:
24.8		 1sqnB-5uc1A:
undetectable
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.75A 1tdrA-1zdrA:
24.0		 1tdrA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 10 ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.66A 1tdrB-1zdrA:
24.2		 1tdrB-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.77A 1ya3A-5uc1A:
22.1		 1ya3A-5uc1A:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.09A 1ya3A-5uc1A:
22.1		 1ya3A-5uc1A:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.76A 1ya3B-5uc1A:
21.7		 1ya3B-5uc1A:
56.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA3_C_STRC3001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.76A 1ya3C-5uc1A:
21.7		 1ya3C-5uc1A:
56.25
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.
1Z95_A_198A501_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.71A 1z95A-5uc1A:
22.6		 1z95A-5uc1A:
29.63
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.
1Z95_A_198A501_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
GLY A 563
GLN A 566
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.76A 1z95A-5uc1A:
22.6		 1z95A-5uc1A:
29.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.86A 1zucB-5uc1A:
24.6		 1zucB-5uc1A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.67A 1zucB-5uc1A:
24.6		 1zucB-5uc1A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 562
GLN A 566
MET A 597
MET A 600
LEU A 604
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.81A 1zucB-5uc1A:
24.6		 1zucB-5uc1A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA5_A_STRA301_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.13A 2aa5A-5uc1A:
22.8		 2aa5A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA5_A_STRA301_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.83A 2aa5A-5uc1A:
22.8		 2aa5A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.74A 2aa5B-5uc1A:
23.0		 2aa5B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.12A 2aa6A-5uc1A:
23.2		 2aa6A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.85A 2aa6A-5uc1A:
23.2		 2aa6A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.84A 2aa6B-5uc1A:
23.1		 2aa6B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_A_SNLA502_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
ARG A 607
PHE A 619
MET A 635
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 4.7A)
 1.28A 2ab2A-5uc1A:
23.2		 2ab2A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_A_SNLA502_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLN A 566
MET A 597
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.82A 2ab2A-5uc1A:
23.2		 2ab2A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 6 LEU A 559
LEU A 562
LEU A 604
CYH A 639
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 ( 3.8A)
486  A 801 ( 3.9A)
 0.74A 2ab2A-5uc1A:
23.2		 2ab2A-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_B_SNLB503_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
ARG A 607
PHE A 619
MET A 635
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 4.7A)
 1.30A 2ab2B-5uc1A:
23.2		 2ab2B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_B_SNLB503_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLN A 566
MET A 597
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.85A 2ab2B-5uc1A:
23.2		 2ab2B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AB2_B_SNLB503_2
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 5 LEU A 559
LEU A 562
LEU A 604
CYH A 639
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 ( 3.8A)
486  A 801 ( 3.9A)
 0.77A 2ab2B-5uc1A:
23.1		 2ab2B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AM9_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
LEU A 562
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.75A 2am9A-5uc1A:
23.5		 2am9A-5uc1A:
46.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AM9_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 1.01A 2am9A-5uc1A:
23.5		 2am9A-5uc1A:
46.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AM9_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 1.11A 2am9A-5uc1A:
23.5		 2am9A-5uc1A:
46.67
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		 2isa CATALASE
(Aliivibrio
salmonicida) 		3 / 3 ARG A 333
VAL A 211
GLY A 321
 HEM  A 486 (-3.5A)
None
None
 0.52A 2avvE-2isaA:
undetectable		 2avvE-2isaA:
12.82
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.51A 2bl9A-1zdrA:
20.2		 2bl9A-1zdrA:
24.90
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.53A 2blaA-1zdrA:
19.9		 2blaA-1zdrA:
25.61
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
THR A  46
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.62A 2cd2A-1zdrA:
19.6		 2cd2A-1zdrA:
34.80
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
ILE A  50
LEU A  54
PRO A  55
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
None
None
 0.60A 2d0kA-1zdrA:
23.9		 2d0kA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
 None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 1.16A 2d0kA-1zdrA:
23.9		 2d0kA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.55A 2d0kB-1zdrA:
23.9		 2d0kB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
ILE A  96
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 2drcA-1zdrA:
24.0		 2drcA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.64A 2drcB-1zdrA:
24.5		 2drcB-1zdrA:
39.88
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 6 TYR A  30
ASP A  27
PHE A  31
THR A  35
 None
None
SO4  A3486 (-4.1A)
None
 1.28A 2dttB-1zdrA:
undetectable
2dttC-1zdrA:
undetectable		 2dttB-1zdrA:
22.22
2dttC-1zdrA:
22.22
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 ASP A 486
PHE A 488
ALA A 474
ARG A 393
 ASP  A 486 ( 0.6A)
PHE  A 488 ( 1.3A)
ALA  A 474 ( 0.0A)
ARG  A 393 ( 0.6A)
 1.08A 2e5dA-2ogsA:
undetectable
2e5dB-2ogsA:
undetectable		 2e5dA-2ogsA:
21.26
2e5dB-2ogsA:
21.26
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		 2isa CATALASE
(Aliivibrio
salmonicida) 		3 / 3 ASN A 127
TYR A 337
SER A 112
 HEM  A 486 (-3.4A)
HEM  A 486 (-4.1A)
HEM  A 486 ( 3.8A)
 0.92A 2gvcB-2isaA:
undetectable		 2gvcB-2isaA:
22.22
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 2isa CATALASE
(Aliivibrio
salmonicida) 		3 / 3 ASN A 127
TYR A 337
SER A 112
 HEM  A 486 (-3.4A)
HEM  A 486 (-4.1A)
HEM  A 486 ( 3.8A)
 0.90A 2gvcE-2isaA:
undetectable		 2gvcE-2isaA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.04A 2oaxA-5uc1A:
21.8		 2oaxA-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.76A 2oaxA-5uc1A:
21.8		 2oaxA-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.61A 2oaxB-5uc1A:
21.8		 2oaxB-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.22A 2oaxC-5uc1A:
21.3		 2oaxC-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.67A 2oaxC-5uc1A:
21.3		 2oaxC-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.59A 2oaxC-5uc1A:
21.3		 2oaxC-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.19A 2oaxD-5uc1A:
22.2		 2oaxD-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.70A 2oaxD-5uc1A:
22.2		 2oaxD-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 562
GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.70A 2oaxD-5uc1A:
22.2		 2oaxD-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 0.91A 2oaxE-5uc1A:
22.0		 2oaxE-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.60A 2oaxE-5uc1A:
22.0		 2oaxE-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.72A 2oaxF-5uc1A:
22.5		 2oaxF-5uc1A:
57.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 562
GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.64A 2oaxF-5uc1A:
22.5		 2oaxF-5uc1A:
57.50
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.67A 2oipA-1zdrA:
20.6		 2oipA-1zdrA:
16.76
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.54A 2oipB-1zdrA:
13.0		 2oipB-1zdrA:
16.76
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.59A 2oipC-1zdrA:
20.4		 2oipC-1zdrA:
16.76
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 2oipD-1zdrA:
20.9		 2oipD-1zdrA:
16.76
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.66A 2oipE-1zdrA:
20.1		 2oipE-1zdrA:
16.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.14A 2oz7A-5uc1A:
23.1		 2oz7A-5uc1A:
51.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.13A 2q7iA-5uc1A:
22.8		 2q7iA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.85A 2q7iA-5uc1A:
22.8		 2q7iA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7J_A_TESA203_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.00A 2q7jA-5uc1A:
23.2		 2q7jA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7J_A_TESA203_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.77A 2q7jA-5uc1A:
23.2		 2q7jA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7J_A_TESA203_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.69A 2q7jA-5uc1A:
23.2		 2q7jA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7K_A_TESA304_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
ASN A 560
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.86A 2q7kA-5uc1A:
23.1		 2q7kA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7K_A_TESA304_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.14A 2q7kA-5uc1A:
23.1		 2q7kA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.82A 2q7lA-5uc1A:
23.3		 2q7lA-5uc1A:
48.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.09A 2q7lA-5uc1A:
23.3		 2q7lA-5uc1A:
48.75
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
LEU A  28
LYS A  32
LEU A  54
PRO A  55
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.57A 2qk8A-1zdrA:
25.4		 2qk8A-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
LYS A  32
ILE A  50
LEU A  54
PRO A  55
ARG A  57
 None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.60A 2qk8A-1zdrA:
25.4		 2qk8A-1zdrA:
52.73
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 7 ALA A 336
ALA A 340
PRO A 315
ARG A  51
 HEM  A 486 ( 3.8A)
HEM  A 486 ( 3.7A)
None
HEM  A 486 (-4.1A)
 1.00A 2ql8A-2isaA:
undetectable
2ql8B-2isaA:
undetectable		 2ql8A-2isaA:
14.93
2ql8B-2isaA:
14.93
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
 0.31A 2w3aA-1zdrA:
20.3		 2w3aA-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.55A 2w3aB-1zdrA:
20.4		 2w3aB-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.55A 2w3bA-1zdrA:
20.3		 2w3bA-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 2w3bB-1zdrA:
20.2		 2w3bB-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 2w3mA-1zdrA:
20.1		 2w3mA-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.41A 2w3mB-1zdrA:
20.2		 2w3mB-1zdrA:
33.86
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.42A 2w3vA-1zdrA:
22.5		 2w3vA-1zdrA:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 562
GLY A 563
GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.75A 2w8yA-5uc1A:
25.1		 2w8yA-5uc1A:
56.79
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.
2W8Y_B_NDRB1000_0
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.77A 2w8yB-5uc1A:
25.1		 2w8yB-5uc1A:
undetectable
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.72A 2w9gA-1zdrA:
26.1		 2w9gA-1zdrA:
49.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.52A 2w9gA-1zdrA:
26.1		 2w9gA-1zdrA:
49.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.73A 2w9hA-1zdrA:
26.3		 2w9hA-1zdrA:
49.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.48A 2w9hA-1zdrA:
26.3		 2w9hA-1zdrA:
49.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
None
 0.67A 2w9sA-1zdrA:
26.3		 2w9sA-1zdrA:
49.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
None
 0.66A 2w9sB-1zdrA:
26.3		 2w9sB-1zdrA:
49.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ILE A   5
ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
None
 0.65A 2w9sC-1zdrA:
26.2		 2w9sC-1zdrA:
49.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
None
 0.53A 2w9sD-1zdrA:
26.0		 2w9sD-1zdrA:
49.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
None
 0.49A 2w9sF-1zdrA:
26.0		 2w9sF-1zdrA:
49.09
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ASP A 206
PHE A 292
ASN A 298
TYR A 252
ASP A 297
 CA  A 486 (-3.0A)
None
None
None
CA  A 486 ( 4.6A)
 1.33A 2x2iA-2aaaA:
12.0		 2x2iA-2aaaA:
20.56
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.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2cfo GLUTAMYL-TRNA
SYNTHETASE
(Synechococcus
elongatus) 		3 / 3 TYR A 192
GLU A  42
THR A  19
 GLU  A1486 (-4.9A)
GLU  A1486 ( 4.9A)
None
 0.86A 2y7hB-2cfoA:
undetectable		 2y7hB-2cfoA:
23.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.61A 2yhdA-5uc1A:
23.1		 2yhdA-5uc1A:
51.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLY A 563
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 0.87A 2yhdA-5uc1A:
23.1		 2yhdA-5uc1A:
51.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.59A 2yhdA-5uc1A:
23.1		 2yhdA-5uc1A:
51.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
ASN A 560
LEU A 562
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
None
486  A 801 (-3.5A)
 0.74A 2yloA-5uc1A:
23.1		 2yloA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
ASN A 560
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.82A 2yloA-5uc1A:
23.1		 2yloA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLP_A_TESA1921_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 ASN A 560
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.66A 2ylpA-5uc1A:
23.3		 2ylpA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLP_A_TESA1921_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 ASN A 560
LEU A 562
GLN A 566
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.63A 2ylpA-5uc1A:
23.3		 2ylpA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLQ_A_TESA1921_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 ASN A 560
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.65A 2ylqA-5uc1A:
23.3		 2ylqA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YLQ_A_TESA1921_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 ASN A 560
LEU A 562
GLN A 566
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.63A 2ylqA-5uc1A:
23.3		 2ylqA-5uc1A:
50.00
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 2zzaA-1zdrA:
25.0		 2zzaA-1zdrA:
46.39
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ILE A 624
MET A 635
LEU A 559
LEU A 604
ARG A 607
 None
486  A 801 ( 4.7A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 1.16A 2zzaA-5uc1A:
undetectable		 2zzaA-5uc1A:
undetectable
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.83A 2zzaB-1zdrA:
24.9		 2zzaB-1zdrA:
46.39
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.68A 2zzaB-1zdrA:
24.9		 2zzaB-1zdrA:
46.39
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 ILE A 624
MET A 635
LEU A 559
LEU A 604
ARG A 607
 None
486  A 801 ( 4.7A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 1.20A 2zzaB-5uc1A:
undetectable		 2zzaB-5uc1A:
undetectable
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		5 / 9 ILE A 450
GLY A 486
SER A 419
LEU A 420
SER A 416
 ILE  A 450 ( 0.4A)
GLY  A 486 ( 0.0A)
SER  A 419 ( 0.0A)
LEU  A 420 ( 0.6A)
SER  A 416 ( 0.0A)
 1.00A 3ai9X-5c05A:
undetectable		 3ai9X-5c05A:
16.93
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.66A 3aicA-2aaaA:
2.0		 3aicA-2aaaA:
23.19
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.64A 3aicB-2aaaA:
9.4		 3aicB-2aaaA:
23.19
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		6 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
TYR A  82
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
None
 0.69A 3aicC-2aaaA:
3.6		 3aicC-2aaaA:
23.19
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.75A 3aicD-2aaaA:
9.6		 3aicD-2aaaA:
23.19
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.69A 3aicE-2aaaA:
9.5		 3aicE-2aaaA:
23.19
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.67A 3aicF-2aaaA:
9.5		 3aicF-2aaaA:
23.19
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.65A 3aicG-2aaaA:
9.6		 3aicG-2aaaA:
23.19
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.72A 3aicH-2aaaA:
9.6		 3aicH-2aaaA:
23.19
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 2x98 ALKALINE PHOSPHATASE
(Halobacterium
salinarum) 		5 / 12 VAL A 440
PHE A 340
LEU A 465
ALA A 460
PHE A 452
 None
None
None
CL  A1486 ( 4.0A)
None
 1.41A 3apxA-2x98A:
undetectable		 3apxA-2x98A:
20.63
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ILE A   5
LEU A  20
LYS A  32
LEU A  54
ARG A  57
ILE A  96
 None
None
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.55A 3cd2A-1zdrA:
19.4		 3cd2A-1zdrA:
34.80
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.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  54
PRO A  55
ARG A  57
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.68A 3cl9A-1zdrA:
18.7		 3cl9A-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.69A 3clbA-1zdrA:
18.8		 3clbA-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  50
ILE A  96
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
 0.70A 3clbB-1zdrA:
17.9		 3clbB-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.70A 3clbC-1zdrA:
18.9		 3clbC-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
None
None
 0.51A 3clbD-1zdrA:
18.7		 3clbD-1zdrA:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_A_GW6A1_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
CYH A 639
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.9A)
 0.75A 3cldA-5uc1A:
26.0		 3cldA-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_A_GW6A1_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 9 LEU A 559
LEU A 562
MET A 600
ALA A 601
MET A 635
MET A 642
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.83A 3cldA-5uc1A:
26.1		 3cldA-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_A_GW6A1_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 9 LEU A 562
TRP A 596
MET A 600
ALA A 601
MET A 635
MET A 642
 486  A 801 ( 4.8A)
None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.88A 3cldA-5uc1A:
26.1		 3cldA-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_B_GW6B2_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 635
CYH A 639
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.9A)
 0.77A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 8 LEU A 559
ALA A 601
LEU A 604
MET A 642
 486  A 801 (-4.7A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 0.68A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 8 MET A 600
ALA A 601
LEU A 604
MET A 642
 None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 0.70A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D90_A_NOGA1001_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.82A 3d90A-5uc1A:
24.6		 3d90A-5uc1A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.77A 3d90B-5uc1A:
24.4		 3d90B-5uc1A:
58.75
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LEU A  20
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.63A 3datA-1zdrA:
25.7		 3datA-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.64A 3datA-1zdrA:
25.7		 3datA-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
ALA A  29
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.57A 3dauA-1zdrA:
25.3		 3dauA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ALA A  29
LYS A  32
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
None
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.51A 3dauA-1zdrA:
25.3		 3dauA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.64A 3dfrA-1zdrA:
23.9		 3dfrA-1zdrA:
38.79
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
ILE A  96
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 3drcA-1zdrA:
24.0		 3drcA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		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
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.61A 3drcB-1zdrA:
24.5		 3drcB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.53A 3eigA-1zdrA:
19.7		 3eigA-1zdrA:
33.51
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))		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.87A 3fl9E-1zdrA:
24.7		 3fl9E-1zdrA:
52.12
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.69A 3frbX-1zdrA:
26.1		 3frbX-1zdrA:
48.15
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.53A 3frbX-1zdrA:
26.1		 3frbX-1zdrA:
48.15
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.66A 3freX-1zdrA:
26.0		 3freX-1zdrA:
48.77
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.58A 3freX-1zdrA:
26.0		 3freX-1zdrA:
48.77
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.
3G2O_B_SAMB600_0
(PCZA361.24)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		5 / 12 GLY A 209
LEU A 183
SER A 212
GLY A 215
GLU A 219
 None
MCA  A 486 ( 4.3A)
None
None
None
 1.04A 3g2oB-3nyqA:
undetectable		 3g2oB-3nyqA:
25.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.72A 3gn8A-5uc1A:
25.7		 3gn8A-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.91A 3gn8A-5uc1A:
25.7		 3gn8A-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.88A 3gn8A-5uc1A:
25.7		 3gn8A-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.80A 3gn8A-5uc1A:
25.7		 3gn8A-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_B_DEXB247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.74A 3gn8B-5uc1A:
25.6		 3gn8B-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN8_B_DEXB247_1
(GLUCOCORTICOID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.92A 3gn8B-5uc1A:
25.6		 3gn8B-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
VAL A 567
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.55A 3h52A-5uc1A:
20.8		 3h52A-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		9 / 12 GLY A 563
GLY A 564
GLN A 566
VAL A 567
LEU A 604
ARG A 607
MET A 635
CYH A 639
MET A 642
 486  A 801 (-3.7A)
486  A 801 ( 3.8A)
486  A 801 (-2.8A)
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.9A)
486  A 801 ( 3.8A)
 0.53A 3h52B-5uc1A:
20.7		 3h52B-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 GLY A 563
GLN A 566
VAL A 567
MET A 597
LEU A 604
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.65A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 GLY A 563
GLN A 566
VAL A 567
TRP A 596
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.71A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 564
GLN A 566
VAL A 567
TRP A 596
MET A 597
 486  A 801 ( 3.8A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
GLY A 563
VAL A 567
MET A 597
PHE A 619
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-4.7A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
GLY A 563
VAL A 567
TRP A 596
MET A 597
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
None
CPS  A 803 ( 3.9A)
 1.10A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
TRP A 596
MET A 597
LEU A 604
MET A 642
 486  A 801 ( 4.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 1.47A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_D_486D2_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 GLY A 563
GLN A 566
VAL A 567
MET A 597
LEU A 604
ARG A 607
MET A 635
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.74A 3h52D-5uc1A:
21.1		 3h52D-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H52_D_486D2_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 5 LEU A 559
ASN A 560
TRP A 596
MET A 600
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
None
None
 0.60A 3h52D-5uc1A:
21.1		 3h52D-5uc1A:
87.50
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.72A 3hbbA-1zdrA:
18.8		 3hbbA-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.69A 3hbbC-1zdrA:
10.3		 3hbbC-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
None
None
 0.49A 3hbbD-1zdrA:
18.8		 3hbbD-1zdrA:
17.08
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.59A 3hj3A-1zdrA:
21.4		 3hj3A-1zdrA:
16.70
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.76A 3hj3A-1zdrA:
21.4		 3hj3A-1zdrA:
16.70
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3hj3B-1zdrA:
21.4		 3hj3B-1zdrA:
16.70
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.70A 3hj3C-1zdrA:
11.3		 3hj3C-1zdrA:
16.70
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3hj3D-1zdrA:
12.1		 3hj3D-1zdrA:
16.70
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 11 LEU A 559
LEU A 562
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.32A 3hm1B-5uc1A:
22.5		 3hm1B-5uc1A:
15.35
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.
3HTH_B_PRLB201_0
(EBRA REPRESSOR)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		5 / 9 LEU A  55
GLU A 103
TYR A 105
LEU A  42
ASP A  38
 HDF  A5486 (-4.7A)
HDF  A5486 (-3.7A)
None
HDF  A5486 (-4.2A)
None
 1.29A 3hthB-1tezA:
0.0		 3hthB-1tezA:
17.22
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LEU A  28
LYS A  32
LEU A  54
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3ia4A-1zdrA:
25.1		 3ia4A-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.62A 3ia4A-1zdrA:
25.1		 3ia4A-1zdrA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 4 ILE A   5
PHE A  31
ILE A  96
THR A 115
 None
SO4  A3486 (-4.1A)
None
None
 0.28A 3ia4A-1zdrA:
25.1		 3ia4A-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A   5
ALA A   7
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.47A 3ia4B-1zdrA:
25.0		 3ia4B-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A   5
ALA A   7
LEU A  28
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.56A 3ia4B-1zdrA:
25.0		 3ia4B-1zdrA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IA4_B_MTXB164_2
(DIHYDROFOLATE
REDUCTASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 4 PHE A  31
LYS A  32
ILE A  96
THR A 115
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
None
None
 0.39A 3ia4B-1zdrA:
25.0		 3ia4B-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LEU A  28
PHE A  31
LEU A  54
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.57A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
LEU A  28
PHE A  31
LYS A  32
LEU A  54
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
 0.79A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
PHE A  31
ILE A  50
LEU A  54
ARG A  57
 None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.53A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
PHE A  31
LYS A  32
ILE A  50
LEU A  54
 None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
 0.77A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.52A 3ia4D-1zdrA:
25.0		 3ia4D-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.47A 3ia4D-1zdrA:
25.0		 3ia4D-1zdrA:
46.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.67A 3ix9A-1zdrA:
25.4		 3ix9A-1zdrA:
39.47
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.66A 3ix9B-1zdrA:
25.5		 3ix9B-1zdrA:
39.47
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		3 / 3 GLU A 230
ASP A 117
ASP A 121
 CA  A 486 (-2.5A)
None
CA  A 485 (-3.2A)
 0.66A 3jb2A-2aaaA:
undetectable		 3jb2A-2aaaA:
17.65
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.73A 3jw3A-1zdrA:
25.8		 3jw3A-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  28
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.88A 3jw3A-1zdrA:
25.8		 3jw3A-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  20
LEU A  28
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.58A 3jw5B-1zdrA:
25.8		 3jw5B-1zdrA:
52.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.58A 3jw5B-1zdrA:
25.8		 3jw5B-1zdrA:
52.73
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.85A 3k2hA-1zdrA:
21.2		 3k2hA-1zdrA:
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.83A 3k2hB-1zdrA:
20.4		 3k2hB-1zdrA:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNE_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.83A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNE_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.70A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNE_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.88A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.79A 3mnoA-5uc1A:
24.8		 3mnoA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.67A 3mnoA-5uc1A:
24.8		 3mnoA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNO_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 6 MET A 556
LEU A 559
MET A 600
GLN A 638
 None
486  A 801 (-4.7A)
None
486  A 801 (-4.6A)
 1.23A 3mnoA-5uc1A:
24.8		 3mnoA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.78A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.71A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MNP_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 6 MET A 556
LEU A 559
MET A 600
GLN A 638
 None
486  A 801 (-4.7A)
None
486  A 801 (-4.6A)
 1.23A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE
(Escherichia
coli) 		7 / 12 GLY Y  32
GLY Y  34
PRO Y  56
VAL Y  57
ASN Y  60
LEU Y 104
THR Y 109
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.4A)
U  A1485 ( 4.7A)
G  A1486 ( 3.9A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-3.3A)
 0.58A 3mteA-4ox9Y:
34.9		 3mteA-4ox9Y:
100.00
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 11 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.69A 3n0hA-1zdrA:
20.4		 3n0hA-1zdrA:
33.51
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 2id5 LEUCINE RICH REPEAT
NEURONAL 6A
(Homo
sapiens) 		5 / 12 LEU A 255
GLY A 282
GLY A 281
ILE A 231
ASN A 235
 None
None
None
None
NAG  A 486 (-1.8A)
 0.93A 3nk7A-2id5A:
undetectable		 3nk7A-2id5A:
22.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
 0.38A 3nrrA-1zdrA:
20.6		 3nrrA-1zdrA:
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.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
 0.42A 3nrrB-1zdrA:
21.4		 3nrrB-1zdrA:
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.
3OLL_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 10 LEU A 559
LEU A 562
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.78A 3ollA-5uc1A:
21.9		 3ollA-5uc1A:
16.30
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
LEU A 562
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.82A 3olsA-5uc1A:
23.1		 3olsA-5uc1A:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		 4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE
(Escherichia
coli) 		11 / 12 GLY Y  32
GLY Y  34
PRO Y  56
VAL Y  57
ASN Y  60
ALA Y  86
ALA Y  87
LEU Y 104
PHE Y 105
LEU Y 110
TRP Y 197
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.4A)
U  A1485 ( 4.7A)
G  A1486 ( 3.9A)
SFG  Y 301 ( 4.1A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.8A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-3.5A)
 0.64A 3p2kC-4ox9Y:
31.6		 3p2kC-4ox9Y:
98.65
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.32A 3qfxA-1zdrA:
19.2		 3qfxA-1zdrA:
27.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.31A 3qfxB-1zdrA:
19.2		 3qfxB-1zdrA:
27.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
 0.35A 3qg2A-1zdrA:
20.4		 3qg2A-1zdrA:
12.83
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
 0.31A 3qg2B-1zdrA:
20.4		 3qg2B-1zdrA:
12.83
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.47A 3qgtA-1zdrA:
20.6		 3qgtA-1zdrA:
12.83
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.29A 3qgtB-1zdrA:
11.4		 3qgtB-1zdrA:
12.83
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.55A 3ql0A-1zdrA:
25.0		 3ql0A-1zdrA:
40.24
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
None
 0.78A 3ql3A-1zdrA:
25.5		 3ql3A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.72A 3s3vA-1zdrA:
20.3		 3s3vA-1zdrA:
34.04
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 9 ILE A   5
ALA A   7
LEU A  20
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.51A 3tq8A-1zdrA:
25.2		 3tq8A-1zdrA:
42.62
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		11 / 12 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.68A 3tq9A-1zdrA:
24.5		 3tq9A-1zdrA:
42.62
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		11 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.50A 3tqbA-1zdrA:
24.2		 3tqbA-1zdrA:
42.62
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ASP A  27
PHE A  31
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.42A 3um5A-1zdrA:
20.7		 3um5A-1zdrA:
12.99
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ASP A  27
PHE A  31
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.41A 3um5B-1zdrA:
13.8		 3um5B-1zdrA:
12.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.73A 3vhuA-5uc1A:
23.4		 3vhuA-5uc1A:
44.74
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.
3VYW_A_SAMA501_1
(MNMC2)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		4 / 6 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.33A 3vywA-1tezA:
undetectable		 3vywA-1tezA:
20.66
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.
3VYW_B_SAMB401_1
(MNMC2)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		4 / 4 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.21A 3vywB-1tezA:
1.1		 3vywB-1tezA:
20.66
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.
3VYW_D_SAMD401_1
(MNMC2)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		4 / 5 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.28A 3vywD-1tezA:
undetectable		 3vywD-1tezA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
ASN A 560
LEU A 562
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
None
486  A 801 (-3.5A)
 0.73A 3zqtA-5uc1A:
23.3		 3zqtA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
ASN A 560
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.85A 3zqtA-5uc1A:
23.3		 3zqtA-5uc1A:
50.00
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.51A 4cd2A-1zdrA:
18.7		 4cd2A-1zdrA:
34.80
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.49A 4cd2A-1zdrA:
18.7		 4cd2A-1zdrA:
34.80
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.69A 4dfrA-1zdrA:
23.9		 4dfrA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.61A 4dfrB-1zdrA:
24.3		 4dfrB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.66A 4dfrB-1zdrA:
24.3		 4dfrB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A   7
LEU A  20
PHE A  31
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.73A 4eckA-1zdrA:
18.9		 4eckA-1zdrA:
14.59
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.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
PHE A  31
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.78A 4eckB-1zdrA:
18.6		 4eckB-1zdrA:
14.59
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.36A 4eilA-1zdrA:
20.1		 4eilA-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.36A 4eilB-1zdrA:
20.5		 4eilB-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.37A 4eilC-1zdrA:
7.9		 4eilC-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.39A 4eilE-1zdrA:
20.6		 4eilE-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.36A 4eilF-1zdrA:
19.7		 4eilF-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.37A 4eilG-1zdrA:
7.9		 4eilG-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.52A 4ej1A-1zdrA:
23.7		 4ej1A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.51A 4ej1B-1zdrA:
23.8		 4ej1B-1zdrA:
40.49
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 2isa CATALASE
(Aliivibrio
salmonicida) 		3 / 3 ARG A  99
TYR A 337
ASN A 355
 None
HEM  A 486 (-4.1A)
None
 0.73A 4ffwB-2isaA:
undetectable		 4ffwB-2isaA:
20.81
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		11 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.57A 4fhbA-1zdrA:
24.4		 4fhbA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 0.92A 4fn9A-5uc1A:
25.1		 4fn9A-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ALA A 601
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.76A 4fn9A-5uc1A:
25.1		 4fn9A-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.00A 4fn9B-5uc1A:
25.4		 4fn9B-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.76A 4fn9B-5uc1A:
25.4		 4fn9B-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 562
GLN A 566
TRP A 596
MET A 597
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.74A 4fn9B-5uc1A:
25.4		 4fn9B-5uc1A:
61.25
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 10 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
None
None
 0.46A 4g8zX-1zdrA:
19.7		 4g8zX-1zdrA:
33.17
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.68A 4gh8A-1zdrA:
24.6		 4gh8A-1zdrA:
39.16
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
 0.69A 4gh8B-1zdrA:
24.2		 4gh8B-1zdrA:
39.16
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC
(Candida
albicans) 		4 / 8 ASP A 353
ASN A 125
GLU A 355
ASP A 121
 ATP  A 486 (-4.1A)
None
None
None
 1.08A 4gkiE-3qo7A:
undetectable
4gkiG-3qo7A:
undetectable		 4gkiE-3qo7A:
20.87
4gkiG-3qo7A:
20.87
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		5 / 12 HIS A 187
ALA A 455
ILE A 389
GLU A  86
GLY A 145
 MCA  A 486 ( 4.2A)
CL  A 498 ( 3.7A)
None
None
None
 1.12A 4hfpB-3nyqA:
undetectable		 4hfpB-3nyqA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLW_A_TESA1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.69A 4hlwA-5uc1A:
23.1		 4hlwA-5uc1A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLW_A_TESA1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.79A 4hlwA-5uc1A:
23.1		 4hlwA-5uc1A:
50.00
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.48A 4i13A-1zdrA:
23.6		 4i13A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.53A 4i1nA-1zdrA:
23.7		 4i1nA-1zdrA:
40.49
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.
4IAQ_A_2GMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3
(Homo
sapiens) 		5 / 12 LEU A 136
VAL A 120
MET A  47
PHE A  20
THR A  73
 None
None
None
None
CL  A 486 (-3.1A)
 1.30A 4iaqA-3sm9A:
undetectable		 4iaqA-3sm9A:
20.86
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 9 TYR A 337
LYS A  54
HIS A  54
PHE A 140
 HEM  A 486 (-4.1A)
OMT  A  53 (-3.0A)
HEM  A 486 (-3.4A)
HEM  A 486 (-3.4A)
 1.35A 4jvlA-2isaA:
undetectable		 4jvlA-2isaA:
19.72
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.52A 4kebB-1zdrA:
20.1		 4kebB-1zdrA:
33.51
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.55A 4kfjB-1zdrA:
20.3		 4kfjB-1zdrA:
33.51
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ALA A  29
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.10A 4kjjA-1zdrA:
24.1		 4kjjA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
ALA A  29
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.45A 4kjjA-1zdrA:
24.1		 4kjjA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.58A 4kjjA-1zdrA:
24.1		 4kjjA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.58A 4kjkA-1zdrA:
25.0		 4kjkA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.61A 4kjkA-1zdrA:
25.0		 4kjkA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.47A 4kjlA-1zdrA:
24.8		 4kjlA-1zdrA:
40.24
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.41A 4km0A-1zdrA:
21.5		 4km0A-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.37A 4km0B-1zdrA:
21.9		 4km0B-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.44A 4km2A-1zdrA:
22.2		 4km2A-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
 0.59A 4km2A-1zdrA:
22.2		 4km2A-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
None
 0.41A 4km2B-1zdrA:
22.1		 4km2B-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ILE A   5
ASP A  27
PHE A  31
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.50A 4km2B-1zdrA:
22.1		 4km2B-1zdrA:
32.09
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.68A 4ky8A-1zdrA:
9.6		 4ky8A-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.66A 4ky8B-1zdrA:
15.3		 4ky8B-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.66A 4ky8C-1zdrA:
21.3		 4ky8C-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.70A 4ky8D-1zdrA:
17.9		 4ky8D-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.67A 4ky8E-1zdrA:
21.3		 4ky8E-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.49A 4kyaA-1zdrA:
20.2		 4kyaA-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.41A 4kyaB-1zdrA:
20.4		 4kyaB-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.46A 4kyaC-1zdrA:
14.7		 4kyaC-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.41A 4kyaD-1zdrA:
13.2		 4kyaD-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.50A 4kyaE-1zdrA:
20.1		 4kyaE-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.43A 4kyaF-1zdrA:
13.1		 4kyaF-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.49A 4kyaG-1zdrA:
20.1		 4kyaG-1zdrA:
14.94
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.42A 4kyaH-1zdrA:
19.6		 4kyaH-1zdrA:
14.94
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.
4LAJ_B_ACAB512_1
(HIV-1 YU2 GP120
ENVELOPE
GLYCOPROTEIN)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 6 GLY A 126
ASP A 123
PRO A 315
ARG A 333
 HEM  A 486 (-4.1A)
None
None
HEM  A 486 (-3.5A)
 1.09A 4lajA-2isaA:
undetectable
4lajB-2isaA:
undetectable		 4lajA-2isaA:
20.29
4lajB-2isaA:
20.29
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.
4LAJ_B_ACAB512_1
(HIV-1 YU2 GP120
ENVELOPE
GLYCOPROTEIN)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 6 GLY A 195
ASP A 123
PRO A 315
ARG A 333
 None
None
None
HEM  A 486 (-3.5A)
 0.99A 4lajA-2isaA:
undetectable
4lajB-2isaA:
undetectable		 4lajA-2isaA:
20.29
4lajB-2isaA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
ARG A 607
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.02A 4ltwA-5uc1A:
25.2		 4ltwA-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.81A 4ltwA-5uc1A:
25.2		 4ltwA-5uc1A:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 8 TRP A 596
MET A 600
ALA A 601
MET A 642
 None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
 0.41A 4ltwA-5uc1A:
25.2		 4ltwA-5uc1A:
61.25
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 0.43A 4m2xA-1zdrA:
22.0		 4m2xA-1zdrA:
34.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.2A)
None
None
 0.37A 4m2xC-1zdrA:
7.6		 4m2xC-1zdrA:
34.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.2A)
None
 0.43A 4m2xE-1zdrA:
7.5		 4m2xE-1zdrA:
34.73
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 4m6kA-1zdrA:
20.4		 4m6kA-1zdrA:
33.86
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 2isa CATALASE
(Aliivibrio
salmonicida) 		5 / 12 LEU A 297
GLY A 110
ASN A 127
ALA A  90
GLY A 195
 None
HEM  A 486 (-3.6A)
HEM  A 486 (-3.4A)
None
None
 1.17A 4n09A-2isaA:
undetectable		 4n09A-2isaA:
22.97
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.77A 4nx6A-1zdrA:
25.4		 4nx6A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.03A 4nx6A-1zdrA:
25.4		 4nx6A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.84A 4nx7A-1zdrA:
25.3		 4nx7A-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.00A 4nx7A-1zdrA:
25.3		 4nx7A-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OJB_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.72A 4ojbA-5uc1A:
22.6		 4ojbA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.83A 4ok1A-5uc1A:
23.2		 4ok1A-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
LEU A 562
GLY A 563
GLN A 566
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
 0.46A 4ok1A-5uc1A:
23.2		 4ok1A-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKB_A_198A1002_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.80A 4okbA-5uc1A:
22.5		 4okbA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.98A 4oktA-5uc1A:
22.9		 4oktA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
LEU A 562
GLY A 563
GLN A 566
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.70A 4oktA-5uc1A:
22.9		 4oktA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.72A 4okwA-5uc1A:
22.7		 4okwA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.72A 4okxA-5uc1A:
22.5		 4okxA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.81A 4olmA-5uc1A:
22.2		 4olmA-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 LEU A 559
LEU A 562
GLY A 563
GLN A 566
MET A 600
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
 0.81A 4olmA-5uc1A:
22.2		 4olmA-5uc1A:
30.37
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
PRO A  55
ILE A  96
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.89A 4p3qA-1zdrA:
25.4		 4p3qA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.05A 4p3qA-1zdrA:
25.4		 4p3qA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.74A 4p3qA-1zdrA:
25.4		 4p3qA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.64A 4p3rA-1zdrA:
25.2		 4p3rA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.50A 4p66A-1zdrA:
25.6		 4p66A-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 11 ILE A   5
ASP A  27
PHE A  31
LYS A  32
ILE A  50
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
None
 0.45A 4p68A-1zdrA:
25.4		 4p68A-1zdrA:
39.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.96A 4p6xA-5uc1A:
26.4		 4p6xA-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.86A 4p6xA-5uc1A:
26.4		 4p6xA-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 MET A 556
LEU A 559
ASN A 560
GLY A 563
GLN A 566
GLN A 638
 None
486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-4.6A)
 0.89A 4p6xA-5uc1A:
26.4		 4p6xA-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_C_HCYC900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 11 ASN A 560
LEU A 562
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.88A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_C_HCYC900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 11 LEU A 562
GLN A 566
TRP A 596
MET A 597
MET A 600
ARG A 607
 486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.92A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_C_HCYC900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 11 MET A 556
ASN A 560
LEU A 562
GLN A 566
MET A 600
ARG A 607
GLN A 638
 None
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.78A 4p6xC-5uc1A:
26.6		 4p6xC-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_E_HCYE900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.86A 4p6xE-5uc1A:
26.3		 4p6xE-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_E_HCYE900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
MET A 600
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.90A 4p6xE-5uc1A:
26.3		 4p6xE-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.64A 4p6xG-5uc1A:
26.7		 4p6xG-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.73A 4p6xG-5uc1A:
26.7		 4p6xG-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.75A 4p6xG-5uc1A:
26.7		 4p6xG-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.86A 4p6xI-5uc1A:
26.8		 4p6xI-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.83A 4p6xI-5uc1A:
26.8		 4p6xI-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_K_HCYK900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.78A 4p6xK-5uc1A:
26.7		 4p6xK-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_K_HCYK900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.81A 4p6xK-5uc1A:
26.7		 4p6xK-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P6X_K_HCYK900_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
ARG A 607
GLN A 638
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.54A 4p6xK-5uc1A:
26.7		 4p6xK-5uc1A:
96.15
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.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3
(Homo
sapiens) 		5 / 11 PHE A 162
PRO A  21
SER A 148
ILE A 130
ASN A 134
 None
CL  A 486 ( 3.9A)
Z99  A 485 (-4.6A)
None
SO4  A 480 (-3.4A)
 1.36A 4pl1A-3sm9A:
1.9		 4pl1A-3sm9A:
22.95
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ALA A  29
PHE A  31
THR A  46
ILE A  50
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.51A 4pssA-1zdrA:
undetectable		 4pssA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
LEU A  28
ALA A  29
PHE A  31
THR A  46
LEU A  54
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
 0.50A 4pssA-1zdrA:
undetectable		 4pssA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.64A 4pstA-1zdrA:
undetectable		 4pstA-1zdrA:
40.49
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.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		3 / 3 ILE A  41
ASP A  46
ARG A  11
 HDF  A5486 (-3.9A)
None
HDF  A5486 ( 4.9A)
 0.81A 4pstA-1tezA:
undetectable		 4pstA-1tezA:
16.11
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
ALA A  29
PHE A  31
LYS A  32
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.48A 4psyA-1zdrA:
25.3		 4psyA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.64A 4pthA-1zdrA:
25.1		 4pthA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTH_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A  27
LEU A  28
PHE A  31
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
 0.41A 4pthA-1zdrA:
25.1		 4pthA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ILE A  50
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
None
 0.52A 4ptjA-1zdrA:
25.3		 4ptjA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A  27
LYS A  32
LEU A  54
 None
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
 0.64A 4ptjA-1zdrA:
25.3		 4ptjA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4q0dA-1zdrA:
21.1		 4q0dA-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4q0dB-1zdrA:
21.1		 4q0dB-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.48A 4q0dC-1zdrA:
21.1		 4q0dC-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		7 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.48A 4q0dD-1zdrA:
21.1		 4q0dD-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4q0dE-1zdrA:
21.2		 4q0dE-1zdrA:
16.89
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.58A 4qi9A-1zdrA:
22.1		 4qi9A-1zdrA:
43.93
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.57A 4qi9B-1zdrA:
22.6		 4qi9B-1zdrA:
43.93
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 11 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4qi9C-1zdrA:
21.6		 4qi9C-1zdrA:
43.93
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.46A 4qleA-1zdrA:
24.4		 4qleA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.58A 4qleB-1zdrA:
24.4		 4qleB-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 11 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.76A 4qlfA-1zdrA:
21.4		 4qlfA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.55A 4qlgA-1zdrA:
24.5		 4qlgA-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		11 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.60A 4qlgB-1zdrA:
24.1		 4qlgB-1zdrA:
39.88
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.60A 4rgcA-1zdrA:
25.4		 4rgcA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UDA_A_DEXA1985_1
(MINERALOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 ASN A 560
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.92A 4udaA-5uc1A:
23.5		 4udaA-5uc1A:
53.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UDC_A_DEXA1778_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		6 / 12 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.73A 4udcA-5uc1A:
26.8		 4udcA-5uc1A:
75.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UDC_A_DEXA1778_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		8 / 12 MET A 556
LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 None
486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.90A 4udcA-5uc1A:
26.8		 4udcA-5uc1A:
75.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4x5fA-1zdrA:
24.3		 4x5fA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.90A 4x5fB-1zdrA:
24.3		 4x5fB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.48A 4x5fB-1zdrA:
24.3		 4x5fB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.61A 4x5gA-1zdrA:
24.3		 4x5gA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.90A 4x5gB-1zdrA:
24.4		 4x5gB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.57A 4x5gB-1zdrA:
24.4		 4x5gB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.69A 4x5hA-1zdrA:
23.9		 4x5hA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.68A 4x5iA-1zdrA:
23.7		 4x5iA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.55A 4x5iA-1zdrA:
23.7		 4x5iA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.27A 4x5iA-1zdrA:
23.7		 4x5iA-1zdrA:
40.49
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		3 / 3 ASP A 101
ARG A 255
ARG A  14
 HDF  A5486 (-3.5A)
None
None
 0.87A 4x5iA-1tezA:
0.2		 4x5iA-1tezA:
16.33
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.56A 4x5jA-1zdrA:
23.7		 4x5jA-1zdrA:
40.49
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		5 / 12 GLY A 285
MET A 286
PHE A  24
GLY A  62
LEU A 196
 MCA  A 486 ( 3.7A)
AMP  A 487 ( 3.8A)
CL  A 497 (-4.7A)
None
None
 1.29A 4ze1A-3nyqA:
undetectable		 4ze1A-3nyqA:
20.91
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 7 MET A 191
HIS A  54
GLY A 126
ASN A 127
 None
HEM  A 486 (-3.4A)
HEM  A 486 (-4.1A)
HEM  A 486 (-3.4A)
 1.36A 5a5zC-2isaA:
undetectable		 5a5zC-2isaA:
21.03
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC
(Candida
albicans) 		6 / 12 ALA A 356
PRO A 333
GLY A 331
ALA A 407
LYS A 300
GLU A 302
 None
None
None
ATP  A 486 (-3.3A)
ATP  A 486 (-3.1A)
None
 1.15A 5c0oG-3qo7A:
undetectable		 5c0oG-3qo7A:
20.25
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.46A 5csyB-2aaaA:
19.1		 5csyB-2aaaA:
24.07
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.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		3 / 3 TRP A 171
ARG A 283
LEU A 179
 None
MCA  A 486 ( 3.0A)
None
 0.85A 5dbyA-3nyqA:
undetectable		 5dbyA-3nyqA:
22.42
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
None
 0.60A 5e8qA-1zdrA:
24.1		 5e8qA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A  27
LEU A  54
ARG A  57
 None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.59A 5e8qA-1zdrA:
24.1		 5e8qA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.63A 5e8qB-1zdrA:
24.3		 5e8qB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.61A 5eajA-1zdrA:
24.2		 5eajA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 12 LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.31A 5eajA-1zdrA:
24.2		 5eajA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.66A 5eajB-1zdrA:
24.4		 5eajB-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.59A 5hi6A-1zdrA:
24.1		 5hi6A-1zdrA:
44.71
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 12 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.67A 5hi6A-1zdrA:
24.1		 5hi6A-1zdrA:
44.71
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 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
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.79A 5hi6B-1zdrA:
23.8		 5hi6B-1zdrA:
44.71
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 1r1s GRB2-RELATED ADAPTOR
PROTEIN 2
(Mus
musculus) 		3 / 3 LYS A 129
LEU A 119
ILE A  84
 SO4  A3486 ( 3.8A)
None
None
 0.78A 5kc0A-1r1sA:
undetectable		 5kc0A-1r1sA:
22.65
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.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		 2isa CATALASE
(Aliivibrio
salmonicida) 		4 / 5 PHE A  92
SER A  93
ASN A 223
ASP A 181
 None
HEM  A 486 ( 4.4A)
None
None
 1.45A 5kpcA-2isaA:
undetectable		 5kpcA-2isaA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		10 / 12 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 635
GLN A 638
CYH A 639
MET A 642
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 (-4.6A)
486  A 801 ( 3.9A)
486  A 801 ( 3.8A)
 0.83A 5nfpA-5uc1A:
26.7		 5nfpA-5uc1A:
81.72
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.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		5 / 12 LEU A 559
LEU A 562
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.80A 5toaA-5uc1A:
22.9		 5toaA-5uc1A:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UC3_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		9 / 12 ASN A 560
GLY A 563
GLN A 566
TRP A 596
MET A 600
ARG A 607
PHE A 619
MET A 635
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.67A 5uc3A-5uc1A:
28.2		 5uc3A-5uc1A:
96.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		4 / 5 LEU A 559
LEU A 562
MET A 597
GLN A 638
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-4.6A)
 0.98A 5uc3A-5uc1A:
28.2		 5uc3A-5uc1A:
96.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 GLY A 563
GLN A 566
VAL A 567
TRP A 596
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.67A 5uc3B-5uc1A:
28.2		 5uc3B-5uc1A:
96.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
GLY A 563
GLN A 566
VAL A 567
ARG A 607
PHE A 619
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 (-4.6A)
 0.71A 5uc3B-5uc1A:
28.2		 5uc3B-5uc1A:
96.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		 5uc1 GLUCOCORTICOID
RECEPTOR
(Heterocephalus
glaber) 		7 / 12 LEU A 559
GLY A 563
GLN A 566
VAL A 567
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.54A 5uc3B-5uc1A:
28.2		 5uc3B-5uc1A:
96.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
None
 0.32A 5uihA-1zdrA:
23.4		 5uihA-1zdrA:
31.58
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.61A 5ujxA-1zdrA:
24.1		 5ujxA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		10 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 5ujxB-1zdrA:
24.3		 5ujxB-1zdrA:
40.49
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.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 7 THR A 486
PHE A 218
HIS A 186
ILE A 213
 THR  A 486 ( 0.8A)
PHE  A 218 ( 1.3A)
HIS  A 186 ( 1.0A)
ILE  A 213 ( 0.6A)
 1.15A 5vkqA-5cdnA:
3.2
5vkqB-5cdnA:
3.2		 5vkqA-5cdnA:
14.36
5vkqB-5cdnA:
14.36
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 8 THR A 486
PHE A 218
HIS A 186
ILE A 213
 THR  A 486 ( 0.8A)
PHE  A 218 ( 1.3A)
HIS  A 186 ( 1.0A)
ILE  A 213 ( 0.6A)
 1.15A 5vkqB-5cdnA:
3.2
5vkqC-5cdnA:
3.2		 5vkqB-5cdnA:
14.36
5vkqC-5cdnA:
14.36
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.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 7 THR A 486
PHE A 218
HIS A 186
ILE A 213
 THR  A 486 ( 0.8A)
PHE  A 218 ( 1.3A)
HIS  A 186 ( 1.0A)
ILE  A 213 ( 0.6A)
 1.12A 5vkqC-5cdnA:
3.2
5vkqD-5cdnA:
3.2		 5vkqC-5cdnA:
14.36
5vkqD-5cdnA:
14.36
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		 3nyq MALONYL-COA LIGASE
(Streptomyces
coelicolor) 		4 / 4 PHE A 228
LEU A 160
LEU A 167
VAL A 188
 None
None
None
MCA  A 486 ( 4.1A)
 0.96A 5xxiA-3nyqA:
undetectable		 5xxiA-3nyqA:
19.75
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.46A 5z6fA-1zdrA:
25.3		 5z6fA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.52A 5z6jA-1zdrA:
25.3		 5z6jA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.49A 5z6jA-1zdrA:
25.3		 5z6jA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.53A 5z6kA-1zdrA:
25.1		 5z6kA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.54A 5z6kA-1zdrA:
25.1		 5z6kA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		8 / 9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
PRO A  55
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.49A 5z6lA-1zdrA:
25.0		 5z6lA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.95A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ALA A   7
ASP A  27
LEU A  28
PHE A  31
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 1.03A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ILE A   5
ALA A   7
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.63A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		6 / 11 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 0.83A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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.
5ZRD_A_CUA606_0
(TYROSINASE)		 2l0z GLYCOPROTEIN G2
(Argentinian
mammarenavirus) 		4 / 4 HIS A 447
CYH A 455
HIS A 449
HIS A 485
 ZN  A 486 (-3.3A)
ZN  A 486 (-2.3A)
ZN  A 486 (-3.3A)
ZN  A 486 (-3.3A)
 1.47A 5zrdA-2l0zA:
undetectable		 5zrdA-2l0zA:
6.38
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		5 / 12 TYR A  82
HIS A 122
ASP A 206
HIS A 296
ASP A 297
 None
None
CA  A 486 (-3.0A)
None
CA  A 486 ( 4.6A)
 0.51A 6ag0A-2aaaA:
26.5		 6ag0A-2aaaA:
12.16
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
 0.33A 6aogA-1zdrA:
20.0		 6aogA-1zdrA:
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
 0.34A 6aogB-1zdrA:
20.1		 6aogB-1zdrA:
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE
(Synechococcus
elongatus) 		5 / 12 SER A  44
LEU A 300
ASP A  46
ASP A 382
ILE A  41
 None
None
None
None
HDF  A5486 (-3.9A)
 1.19A 6dwnA-1tezA:
undetectable		 6dwnA-1tezA:
10.44
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.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2aaa ALPHA-AMYLASE
(Aspergillus
niger) 		4 / 8 ASP A 121
HIS A 296
GLU A 230
ASP A 232
 CA  A 485 (-3.2A)
None
CA  A 486 (-2.5A)
None
 1.09A 6mn4D-2aaaA:
undetectable		 6mn4D-2aaaA:
20.67
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.56A 7dfrA-1zdrA:
25.1		 7dfrA-1zdrA:
40.49
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)		 1zdr DIHYDROFOLATE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A  27
LEU A  28
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
 0.67A 7dfrA-1zdrA:
25.1		 7dfrA-1zdrA:
40.49