SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CME'


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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 6cwx RIBONUCLEASE P
PROTEIN SUBUNIT P25
(Homo
sapiens) 		4 / 5 LEU B 135
SER B  44
LEU B  49
GLY B  69
 None
None
None
CME  B  70 ( 2.3A)
 1.09A 1a4lB-6cwxB:
undetectable		 1a4lB-6cwxB:
14.56
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
LEU A  45
PHE A  48
THR A  63
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
CME  A 140 ( 4.5A)
 0.88A 1ao8A-5dxvA:
13.1		 1ao8A-5dxvA:
26.26
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
PHE A  48
THR A  63
SER A  66
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
CME  A 140 ( 4.5A)
 0.73A 1ao8A-5dxvA:
13.1		 1ao8A-5dxvA:
26.26
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.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.40A 1cd2A-5dxvA:
12.2		 1cd2A-5dxvA:
24.41
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1d1gA-5dxvA:
13.5		 1d1gA-5dxvA:
30.43
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1d1gB-5dxvA:
13.4		 1d1gB-5dxvA:
30.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_A_ADNA601_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 5 THR A 867
GLU A 879
THR A 881
HIS A 732
 CME  A 974 ( 3.9A)
None
None
None
 1.31A 1d4fA-4lglA:
undetectable		 1d4fA-4lglA:
19.36
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.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 5 THR A 867
GLU A 879
THR A 881
HIS A 732
 CME  A 974 ( 3.9A)
None
None
None
 1.38A 1d4fB-4lglA:
undetectable		 1d4fB-4lglA:
19.36
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.
1D4F_D_ADND604_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 5 THR A 867
GLU A 879
THR A 881
HIS A 732
 CME  A 974 ( 3.9A)
None
None
None
 1.30A 1d4fD-4lglA:
4.1		 1d4fD-4lglA:
19.36
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.47A 1ddrB-5dxvA:
16.8		 1ddrB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.67A 1ddrB-5dxvA:
16.8		 1ddrB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.56A 1ddsA-5dxvA:
16.7		 1ddsA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.75A 1ddsA-5dxvA:
16.7		 1ddsA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 1ddsB-5dxvA:
17.0		 1ddsB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.73A 1ddsB-5dxvA:
17.0		 1ddsB-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 1dhfA-5dxvA:
12.2		 1dhfA-5dxvA:
27.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.63A 1dhfB-5dxvA:
12.3		 1dhfB-5dxvA:
27.84
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.49A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.69A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.64A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.82A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.46A 1dhiB-5dxvA:
17.2		 1dhiB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.64A 1dhiB-5dxvA:
17.2		 1dhiB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1dhjA-5dxvA:
17.0		 1dhjA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.66A 1dhjA-5dxvA:
17.0		 1dhjA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.68A 1dhjA-5dxvA:
17.0		 1dhjA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.84A 1dhjA-5dxvA:
17.0		 1dhjA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.53A 1dhjB-5dxvA:
17.1		 1dhjB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.65A 1dhjB-5dxvA:
17.1		 1dhjB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.50A 1draB-5dxvA:
17.2		 1draB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.67A 1draB-5dxvA:
17.2		 1draB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.53A 1drbA-5dxvA:
17.0		 1drbA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.71A 1drbA-5dxvA:
17.0		 1drbA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.68A 1drbA-5dxvA:
17.0		 1drbA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.85A 1drbA-5dxvA:
17.0		 1drbA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.46A 1drbB-5dxvA:
17.2		 1drbB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.60A 1drbB-5dxvA:
17.2		 1drbB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.46A 1dyiA-5dxvA:
17.1		 1dyiA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.69A 1dyiA-5dxvA:
17.1		 1dyiA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.43A 1dyiB-5dxvA:
17.3		 1dyiB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.70A 1dyiB-5dxvA:
17.3		 1dyiB-5dxvA:
69.66
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.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
PHE A  48
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.39A 1dyrA-5dxvA:
12.4		 1dyrA-5dxvA:
24.41
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		5 / 9 VAL A 362
VAL A 442
LEU A 385
ILE A 348
LEU A 367
 CME  A 352 ( 4.0A)
None
None
None
None
 1.04A 1eqgA-5d8gA:
undetectable		 1eqgA-5d8gA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		5 / 11 VAL A 362
VAL A 442
LEU A 385
ILE A 348
LEU A 367
 CME  A 352 ( 4.0A)
None
None
None
None
 1.03A 1eqgB-5d8gA:
undetectable		 1eqgB-5d8gA:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 12 ALA A 350
TRP A 383
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 1.00A 1fm6A-2ocfA:
25.7		 1fm6A-2ocfA:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.93A 1fm9A-2ocfA:
25.7		 1fm9A-2ocfA:
30.66
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.
1HK5_A_T44A1008_1
(SERUM ALBUMIN)		 5ibx TRIOSEPHOSPHATE
ISOMERASE
(Streptococcus
pneumoniae) 		5 / 10 ASP A 183
LYS A 186
VAL A 215
TYR A 223
VAL A 229
 None
None
None
None
CME  A 226 (-4.2A)
 1.40A 1hk5A-5ibxA:
2.1		 1hk5A-5ibxA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.68A 1j3jA-5dxvA:
7.5		 1j3jA-5dxvA:
19.93
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.46A 1j3jA-5dxvA:
7.5		 1j3jA-5dxvA:
19.93
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 9 ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.61A 1j3jB-5dxvA:
11.8		 1j3jB-5dxvA:
19.93
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.40A 1jolA-5dxvA:
17.1		 1jolA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.73A 1jolA-5dxvA:
17.1		 1jolA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.42A 1jolB-5dxvA:
17.2		 1jolB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.70A 1jolB-5dxvA:
17.2		 1jolB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.38A 1jomA-5dxvA:
17.2		 1jomA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.66A 1jomA-5dxvA:
17.2		 1jomA-5dxvA:
69.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K74_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.93A 1k74A-2ocfA:
25.6		 1k74A-2ocfA:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		3 / 3 GLU A 339
LYS A 416
VAL A 418
 None
None
CME  A 417 ( 3.2A)
 0.83A 1l2iA-2ocfA:
35.8		 1l2iA-2ocfA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 6 PHE A 337
GLU A 339
GLN A 414
LYS A 416
VAL A 418
 None
None
None
None
CME  A 417 ( 3.2A)
 1.07A 1l2iB-2ocfA:
36.6		 1l2iB-2ocfA:
99.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_SAMA293_1
(GLYCINE
N-METHYLTRANSFERASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		3 / 3 ARG A 968
ASP A 853
ASN A 920
 CME  A 974 ( 4.3A)
None
None
 0.81A 1nbhA-4lglA:
3.9		 1nbhA-4lglA:
15.51
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.
1NBH_D_SAMD3293_1
(GLYCINE
N-METHYLTRANSFERASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		3 / 3 ARG A 968
ASP A 853
ASN A 920
 CME  A 974 ( 4.3A)
None
None
 0.81A 1nbhD-4lglA:
2.9		 1nbhD-4lglA:
15.51
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1jeo HYPOTHETICAL PROTEIN
MJ1247
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  16
ILE A  87
ILE A 115
VAL A 134
ILE A  89
 None
None
None
CME  A 117 ( 4.7A)
None
 0.98A 1oipA-1jeoA:
undetectable		 1oipA-1jeoA:
21.07
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1
(Saccharomyces
cerevisiae) 		5 / 12 ILE A  86
ILE A 124
ILE A 337
ILE A 142
VAL A 121
 None
CME  A  13 ( 4.9A)
None
None
None
 0.93A 1oipA-2y6vA:
3.0		 1oipA-2y6vA:
22.72
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN
GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN
(Anemonia
sulcata;
Anemonia
sulcata) 		5 / 12 PHE L  11
ALA A 216
LEU A 110
GLY L  37
LEU L   5
 None
None
CME  A 114 ( 4.6A)
None
None
 1.20A 1qabF-3cfhL:
undetectable		 1qabF-3cfhL:
15.79
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.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 1qzfA-5dxvA:
4.4		 1qzfA-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfA-5dxvA:
4.4		 1qzfA-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 1qzfB-5dxvA:
3.6		 1qzfB-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfB-5dxvA:
3.6		 1qzfB-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 1qzfC-5dxvA:
12.4		 1qzfC-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfC-5dxvA:
12.4		 1qzfC-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 1qzfD-5dxvA:
4.4		 1qzfD-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfD-5dxvA:
4.4		 1qzfD-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.53A 1qzfE-5dxvA:
3.7		 1qzfE-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 1.04A 1qzfE-5dxvA:
3.7		 1qzfE-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 1jeo HYPOTHETICAL PROTEIN
MJ1247
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  16
ILE A  87
ILE A 115
VAL A 134
ILE A  89
 None
None
None
CME  A 117 ( 4.7A)
None
 0.96A 1r5lA-1jeoA:
0.1		 1r5lA-1jeoA:
24.68
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.34A 1ra2A-5dxvA:
17.6		 1ra2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.68A 1ra2A-5dxvA:
17.6		 1ra2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.45A 1ra3A-5dxvA:
17.4		 1ra3A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.65A 1ra3A-5dxvA:
17.4		 1ra3A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.35A 1ra8A-5dxvA:
17.6		 1ra8A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 1ra8A-5dxvA:
17.6		 1ra8A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.37A 1rb2A-5dxvA:
17.3		 1rb2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.66A 1rb2A-5dxvA:
17.3		 1rb2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.32A 1rb2B-5dxvA:
17.5		 1rb2B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.65A 1rb2B-5dxvA:
17.5		 1rb2B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
ALA A   7
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.42A 1rb3A-5dxvA:
17.1		 1rb3A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
LEU A  45
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.71A 1rb3A-5dxvA:
17.1		 1rb3A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.39A 1rb3B-5dxvA:
17.4		 1rb3B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.59A 1rb3B-5dxvA:
17.4		 1rb3B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.44A 1rd7A-5dxvA:
16.9		 1rd7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.65A 1rd7A-5dxvA:
16.9		 1rd7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1rd7B-5dxvA:
16.9		 1rd7B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.70A 1rd7B-5dxvA:
16.9		 1rd7B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.42A 1re7A-5dxvA:
16.9		 1re7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 1re7A-5dxvA:
16.9		 1re7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.46A 1re7B-5dxvA:
16.9		 1re7B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.75A 1re7B-5dxvA:
16.9		 1re7B-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.38A 1rx2A-5dxvA:
17.3		 1rx2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 1rx2A-5dxvA:
17.3		 1rx2A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 1rx7A-5dxvA:
16.8		 1rx7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.70A 1rx7A-5dxvA:
16.8		 1rx7A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.44A 1rx8A-5dxvA:
17.1		 1rx8A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 1rx8A-5dxvA:
17.1		 1rx8A-5dxvA:
69.66
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 9 LEU A 544
ALA A 546
MET A 388
LYS A 382
GLU A 385
 None
None
None
CME  A 381 ( 3.4A)
CME  A 381 ( 4.3A)
 1.45A 1sn0A-2ocfA:
undetectable
1sn0C-2ocfA:
undetectable		 1sn0A-2ocfA:
17.45
1sn0C-2ocfA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 5g2h -
(Salmonella
enterica) 		4 / 7 ASP A 207
ASP A 210
ASP A 209
LYS A 232
 None
None
CME  A 241 ( 4.2A)
None
 1.04A 1t03A-5g2hA:
undetectable		 1t03A-5g2hA:
17.73
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.58A 1tdrB-5dxvA:
16.5		 1tdrB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.79A 1tdrB-5dxvA:
16.5		 1tdrB-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 3ixl ARYLMALONATE
DECARBOXYLASE
(Bordetella
bronchiseptica) 		4 / 6 LEU A 134
PHE A 137
ALA A 136
LEU A 122
 None
None
None
CME  A 148 ( 4.3A)
 0.77A 1ukbA-3ixlA:
undetectable		 1ukbA-3ixlA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2ga8 HYPOTHETICAL 39.9
KDA PROTEIN
(Saccharomyces
cerevisiae) 		4 / 7 ILE A 347
LEU A  44
ILE A 262
ASP A  10
 None
CME  A  45 ( 3.7A)
None
None
 0.86A 1uwjA-2ga8A:
undetectable		 1uwjA-2ga8A:
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.
1V55_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 7 LYS A 158
LEU A 157
GLN A 156
PHE A  54
 None
None
CME  A 170 ( 4.4A)
None
 1.03A 1v55P-2c5qA:
undetectable
1v55W-2c5qA:
undetectable		 1v55P-2c5qA:
20.79
1v55W-2c5qA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 12 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.88A 1xiuB-2ocfA:
26.1		 1xiuB-2ocfA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.98A 1xlsA-2ocfA:
25.8		 1xlsA-2ocfA:
27.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_B_9CRB802_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.98A 1xlsB-2ocfA:
25.9		 1xlsB-2ocfA:
27.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_C_9CRC803_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.98A 1xlsC-2ocfA:
25.8		 1xlsC-2ocfA:
27.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_D_9CRD804_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.99A 1xlsD-2ocfA:
25.9		 1xlsD-2ocfA:
27.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_C_ADNC433_2
(ADENOSYLHOMOCYSTEINA
SE)		 3la4 UREASE
(Canavalia
ensiformis) 		3 / 3 THR A 158
GLU A 254
HIS A 251
 CME  A 207 ( 3.4A)
None
None
 0.91A 1xwfC-3la4A:
3.0		 1xwfC-3la4A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 4ha6 PYRIDOXINE 4-OXIDASE
(Mesorhizobium
loti) 		5 / 12 ALA A  33
GLY A  26
GLY A  98
LEU A 216
HIS A 506
 None
FAD  A 601 (-3.2A)
CME  A 102 ( 3.4A)
None
FAD  A 601 (-4.6A)
 0.91A 1ya4A-4ha6A:
undetectable		 1ya4A-4ha6A:
22.26
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 5 TRP A 870
PRO A 871
ASN A 702
GLY A 676
 CME  A 974 ( 4.7A)
None
None
None
 0.98A 1zlqA-4lglA:
undetectable		 1zlqA-4lglA:
21.36
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.71A 2bl9A-5dxvA:
12.0		 2bl9A-5dxvA:
23.67
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
ALA A   7
PHE A  48
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.39A 2blaA-5dxvA:
11.7		 2blaA-5dxvA:
23.67
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.48A 2blaA-5dxvA:
11.7		 2blaA-5dxvA:
23.67
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.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
THR A  63
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.43A 2cd2A-5dxvA:
12.3		 2cd2A-5dxvA:
24.41
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.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		5 / 12 PHE A 175
ILE A 217
LEU A 219
PRO A 220
ILE A 273
 None
CME  A 205 ( 4.4A)
None
None
None
 0.85A 2d0kA-1wz9A:
undetectable		 2d0kA-1wz9A:
16.22
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.58A 2d0kA-5dxvA:
17.0		 2d0kA-5dxvA:
67.23
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
PRO A  72
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
None
CME  A 140 ( 4.5A)
 0.73A 2d0kA-5dxvA:
17.0		 2d0kA-5dxvA:
67.23
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.49A 2d0kB-5dxvA:
16.8		 2d0kB-5dxvA:
67.23
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.74A 2d0kB-5dxvA:
16.8		 2d0kB-5dxvA:
67.23
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.46A 2drcB-5dxvA:
17.1		 2drcB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.68A 2drcB-5dxvA:
17.1		 2drcB-5dxvA:
69.66
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 7 LYS A 158
LEU A 157
GLN A 156
PHE A  54
 None
None
CME  A 170 ( 4.4A)
None
 0.95A 2dysP-2c5qA:
undetectable
2dysW-2c5qA:
undetectable		 2dysP-2c5qA:
20.79
2dysW-2c5qA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 7 LYS A 158
LEU A 157
GLN A 156
PHE A  54
 None
None
CME  A 170 ( 4.4A)
None
 0.98A 2eijP-2c5qA:
undetectable
2eijW-2c5qA:
undetectable		 2eijP-2c5qA:
20.79
2eijW-2c5qA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 8 LYS A 158
LEU A 157
GLN A 156
PHE A  54
 None
None
CME  A 170 ( 4.4A)
None
 0.98A 2eilP-2c5qA:
undetectable
2eilW-2c5qA:
undetectable		 2eilP-2c5qA:
20.79
2eilW-2c5qA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4fn6 THIAMINASE-2
(Staphylococcus
aureus) 		4 / 8 TYR A 167
TYR A 141
TRP A 163
TYR A  47
 None
CME  A 137 ( 3.5A)
None
ACT  A 302 (-4.5A)
 1.50A 2ha2B-4fn6A:
undetectable		 2ha2B-4fn6A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		 6bk6 HENDRA VIRUS MATRIX
PROTEIN
(Hendra
henipavirus) 		5 / 12 ILE A 259
ARG A 322
ALA A 324
ALA A 325
VAL A 326
 CME  A 255 ( 4.0A)
None
None
None
None
 0.94A 2oc8A-6bk6A:
undetectable		 2oc8A-6bk6A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.53A 2oipB-5dxvA:
3.5		 2oipB-5dxvA:
13.63
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.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
PHE A  48
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.94A 2oipB-5dxvA:
3.5		 2oipB-5dxvA:
13.63
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.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.55A 2oipC-5dxvA:
12.7		 2oipC-5dxvA:
13.63
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.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 LEU A  45
PHE A  48
THR A  63
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 1.05A 2oipC-5dxvA:
12.7		 2oipC-5dxvA:
13.63
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3rgh FILAMIN-A
(Homo
sapiens) 		4 / 7 TYR A 229
GLN A 248
TYR A 221
ILE A 222
 CME  A 198 (-4.4A)
None
None
None
 1.31A 2ph9A-3rghA:
2.9
2ph9B-3rghA:
2.3		 2ph9A-3rghA:
18.55
2ph9B-3rghA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4ha6 PYRIDOXINE 4-OXIDASE
(Mesorhizobium
loti) 		5 / 12 SER A  30
GLY A  24
GLY A  25
ALA A 212
GLY A  50
 None
FAD  A 601 (-3.2A)
FAD  A 601 ( 4.6A)
CME  A 102 ( 3.8A)
None
 0.69A 2pkkA-4ha6A:
2.9		 2pkkA-4ha6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		5 / 12 SER A 529
ASP A 699
GLY A 700
ASN A 723
GLY A 590
 CME  A 974 ( 3.8A)
None
None
None
None
 0.86A 2pkkA-4lglA:
2.6		 2pkkA-4lglA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4ha6 PYRIDOXINE 4-OXIDASE
(Mesorhizobium
loti) 		5 / 12 SER A  30
GLY A  24
GLY A  25
ALA A 212
GLY A  50
 None
FAD  A 601 (-3.2A)
FAD  A 601 ( 4.6A)
CME  A 102 ( 3.8A)
None
 0.71A 2pkmA-4ha6A:
3.6		 2pkmA-4ha6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		5 / 12 SER A 529
ASP A 699
GLY A 700
ASN A 723
GLY A 590
 CME  A 974 ( 3.8A)
None
None
None
None
 0.86A 2pkmA-4lglA:
2.5		 2pkmA-4lglA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		 2cfa THYMIDYLATE SYNTHASE
(Paramecium
bursaria
Chlorella
virus
1) 		3 / 3 LEU B  44
ASN B  38
ARG B  28
 CME  B  48 ( 4.7A)
None
None
 0.84A 2qhfA-2cfaB:
undetectable		 2qhfA-2cfaB:
19.41
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 4fn6 THIAMINASE-2
(Staphylococcus
aureus) 		4 / 7 PHE A   3
LEU A 202
PRO A 136
ALA A 132
 None
None
CME  A 137 ( 3.2A)
None
 0.93A 2vcvG-4fn6A:
undetectable		 2vcvG-4fn6A:
23.62
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 7 HIS A 623
LYS A 726
TYR A 131
TYR A 134
 CME  A 974 ( 4.2A)
CME  A 974 ( 3.3A)
None
None
 1.21A 2vmyA-4lglA:
25.9
2vmyB-4lglA:
25.7		 2vmyA-4lglA:
17.65
2vmyB-4lglA:
17.65
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		4 / 8 TYR A 131
TYR A 134
HIS A 623
LYS A 726
 None
None
CME  A 974 ( 4.2A)
CME  A 974 ( 3.3A)
 1.12A 2vmyA-4lglA:
26.1
2vmyB-4lglA:
25.6		 2vmyA-4lglA:
17.65
2vmyB-4lglA:
17.65
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.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.65A 2w3aA-5dxvA:
12.6		 2w3aA-5dxvA:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.48A 2w3aB-5dxvA:
12.6		 2w3aB-5dxvA:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.57A 2w3bA-5dxvA:
12.5		 2w3bA-5dxvA:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.63A 2w3bB-5dxvA:
12.5		 2w3bB-5dxvA:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.69A 2w3mA-5dxvA:
12.5		 2w3mA-5dxvA:
28.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 2w3mB-5dxvA:
12.5		 2w3mB-5dxvA:
28.35
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
PHE A  48
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.33A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
PHE A  48
SER A  66
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.70A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
PHE A  48
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.87A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
PHE A  48
SER A  66
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 1.11A 2w3vA-5dxvA:
15.5		 2w3vA-5dxvA:
30.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 5h3l METHYLGLYOXAL
SYNTHASE
(synthetic
construct) 		5 / 12 ALA A  44
ILE A  52
LEU A  26
ILE A  14
THR A  45
 None
None
CME  A  22 ( 4.7A)
None
None
 1.10A 2w3vA-5h3lA:
undetectable		 2w3vA-5h3lA:
20.00
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		 4r7k HYPOTHETICAL PROTEIN
JHP0584
(Helicobacter
pylori) 		4 / 7 LEU A 111
ASN A 103
GLU A  82
MET A 151
 None
None
CME  A  73 ( 3.5A)
None
 1.15A 2w8yA-4r7kA:
undetectable		 2w8yA-4r7kA:
21.64
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
ALA A   7
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.66A 2w9sA-5dxvA:
14.2		 2w9sA-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
LEU A  45
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.98A 2w9sA-5dxvA:
14.2		 2w9sA-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
ALA A   7
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.65A 2w9sB-5dxvA:
14.2		 2w9sB-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ILE A   5
LEU A  45
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.97A 2w9sB-5dxvA:
14.2		 2w9sB-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 ILE A   5
ALA A   7
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.65A 2w9sC-5dxvA:
14.2		 2w9sC-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ILE A   5
ALA A   7
SER A  66
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.40A 2w9sD-5dxvA:
13.9		 2w9sD-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ILE A   5
LEU A  45
SER A  66
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.80A 2w9sD-5dxvA:
13.9		 2w9sD-5dxvA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 5dxv RETHREADED DHFR
(synthetic
construct) 		4 / 8 ILE A   5
ALA A   7
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
CME  A 140 ( 4.5A)
 0.37A 2w9sE-5dxvA:
13.8		 2w9sE-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ILE A   5
ALA A   7
SER A  66
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.42A 2w9sF-5dxvA:
13.9		 2w9sF-5dxvA:
31.03
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ILE A   5
LEU A  45
SER A  66
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.83A 2w9sF-5dxvA:
13.9		 2w9sF-5dxvA:
31.03
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 5tv7 PUTATIVE
PEPTIDOGLYCAN-BINDIN
G/HYDROLYSING
PROTEIN
(Clostridioides
difficile) 		4 / 8 HIS A  66
SER A 159
ILE A  73
ASP A 157
 CME  A  70 ( 3.6A)
CME  A  70 ( 3.0A)
CME  A  70 ( 4.3A)
None
 1.02A 2xadA-5tv7A:
undetectable		 2xadA-5tv7A:
18.15
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 5tv7 PUTATIVE
PEPTIDOGLYCAN-BINDIN
G/HYDROLYSING
PROTEIN
(Clostridioides
difficile) 		4 / 8 HIS A  66
SER A 159
ILE A  73
ASP A 157
 CME  A  70 ( 3.6A)
CME  A  70 ( 3.0A)
CME  A  70 ( 4.3A)
None
 1.05A 2xadB-5tv7A:
undetectable		 2xadB-5tv7A:
18.15
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 5tv7 PUTATIVE
PEPTIDOGLYCAN-BINDIN
G/HYDROLYSING
PROTEIN
(Clostridioides
difficile) 		4 / 8 HIS A  66
SER A 159
ILE A  73
ASP A 157
 CME  A  70 ( 3.6A)
CME  A  70 ( 3.0A)
CME  A  70 ( 4.3A)
None
 1.03A 2xadC-5tv7A:
undetectable		 2xadC-5tv7A:
18.15
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 5tv7 PUTATIVE
PEPTIDOGLYCAN-BINDIN
G/HYDROLYSING
PROTEIN
(Clostridioides
difficile) 		4 / 8 HIS A  66
SER A 159
ILE A  73
ASP A 157
 CME  A  70 ( 3.6A)
CME  A  70 ( 3.0A)
CME  A  70 ( 4.3A)
None
 1.03A 2xadD-5tv7A:
undetectable		 2xadD-5tv7A:
18.15
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.
2XKW_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4cgs POLYMERASE SUBUNIT
PA
(Dhori
thogotovirus) 		6 / 12 ILE A   9
PHE A 147
HIS A  45
CYH A  43
ILE A  38
MET A  62
 None
None
CME  A  44 ( 4.9A)
CME  A  44 ( 4.8A)
None
None
 1.37A 2xkwB-4cgsA:
undetectable		 2xkwB-4cgsA:
20.79
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 4ha6 PYRIDOXINE 4-OXIDASE
(Mesorhizobium
loti) 		5 / 12 LEU A 510
HIS A 506
SER A 101
PRO A 158
VAL A 209
 None
FAD  A 601 (-4.6A)
CME  A 102 ( 4.1A)
None
None
 1.43A 2xpwA-4ha6A:
undetectable		 2xpwA-4ha6A:
16.80
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 4r7k HYPOTHETICAL PROTEIN
JHP0584
(Helicobacter
pylori) 		4 / 7 GLU A 104
TYR A  59
ARG A  71
GLU A  82
 None
None
None
CME  A  73 ( 3.5A)
 1.26A 2zt7A-4r7kA:
undetectable		 2zt7A-4r7kA:
13.24
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 2zzaA-5dxvA:
16.1		 2zzaA-5dxvA:
41.76
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.89A 2zzaA-5dxvA:
16.1		 2zzaA-5dxvA:
41.76
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 2zzaB-5dxvA:
16.1		 2zzaB-5dxvA:
41.76
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.91A 2zzaB-5dxvA:
16.1		 2zzaB-5dxvA:
41.76
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)		 4g7e UREASE
(Cajanus
cajan) 		3 / 3 MET B 637
GLU B 547
ASP B 556
 CME  B 592 ( 4.9A)
None
None
 1.02A 3a25A-4g7eB:
undetectable		 3a25A-4g7eB:
18.19
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 4g7e UREASE
(Cajanus
cajan) 		3 / 3 MET B 637
GLU B 493
ASN B 524
 CME  B 592 ( 4.9A)
None
None
 0.94A 3a27A-4g7eB:
undetectable		 3a27A-4g7eB:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		 4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH
(Escherichia
coli) 		5 / 12 THR B 189
LEU B 138
VAL B 127
PRO B 151
LEU B 153
 None
None
CME  B 178 ( 4.2A)
None
None
 1.27A 3a51B-4xb6B:
undetectable		 3a51B-4xb6B:
19.66
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN
(Homo
sapiens) 		5 / 12 PHE A 191
ALA A 180
PHE A  94
SER A  93
TYR A 157
 CME  A 188 ( 4.4A)
None
CME  A 188 ( 3.6A)
None
None
 1.33A 3apwB-4xq7A:
undetectable		 3apwB-4xq7A:
19.89
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		5 / 12 PHE A 372
VAL A 195
THR A 180
PHE A 175
GLU A 328
 CME  A 373 ( 4.7A)
CME  A 183 ( 4.0A)
None
None
None
 1.41A 3apxA-1wz9A:
undetectable		 3apxA-1wz9A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ALA A   7
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.64A 3clbA-5dxvA:
9.2		 3clbA-5dxvA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 3clbC-5dxvA:
11.7		 3clbC-5dxvA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ALA A   7
ILE A  67
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.61A 3clbD-5dxvA:
3.9		 3clbD-5dxvA:
15.28
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.45A 3drcB-5dxvA:
17.1		 3drcB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.67A 3drcB-5dxvA:
17.1		 3drcB-5dxvA:
69.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
ILE A  67
LEU A  71
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.90A 3fl9B-5dxvA:
15.1		 3fl9B-5dxvA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.91A 3fl9B-5dxvA:
15.1		 3fl9B-5dxvA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
ILE A  67
LEU A  71
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.89A 3fl9G-5dxvA:
14.8		 3fl9G-5dxvA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 12 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.99A 3h0aA-2ocfA:
23.5		 3h0aA-2ocfA:
30.50
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.
3H1X_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 5 ASP A 175
TYR A 176
PRO A  62
LYS A  47
 CME  A  46 ( 4.2A)
None
None
CME  A  46 ( 2.9A)
 1.33A 3h1xA-5m6qA:
undetectable		 3h1xA-5m6qA:
16.67
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.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 11 ALA A   7
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 3hbbC-5dxvA:
3.2		 3hbbC-5dxvA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ALA A   7
ILE A  67
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 3hbbD-5dxvA:
11.6		 3hbbD-5dxvA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.60A 3hj3A-5dxvA:
13.3		 3hj3A-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.99A 3hj3A-5dxvA:
13.3		 3hj3A-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 3hj3C-5dxvA:
12.1		 3hj3C-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 LEU A  45
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 1.00A 3hj3C-5dxvA:
12.1		 3hj3C-5dxvA:
13.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		4 / 4 ILE A   5
PHE A  48
ILE A 111
THR A 130
 None
PEG  A 202 ( 3.7A)
None
CME  A 140 ( 4.5A)
 0.20A 3ia4A-5dxvA:
16.3		 3ia4A-5dxvA:
42.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		 1jeo HYPOTHETICAL PROTEIN
MJ1247
(Methanocaldococc
us
jannaschii) 		3 / 3 THR A  77
LYS A 178
GLU A  74
 None
CME  A 177 ( 3.5A)
None
 0.96A 3ijdB-1jeoA:
undetectable		 3ijdB-1jeoA:
23.03
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens) 		3 / 3 PRO A 458
PHE A 454
ALA A 415
 CME  A 356 ( 4.9A)
None
None
 0.62A 3itaD-4z93A:
2.2		 3itaD-4z93A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ILE A   5
ALA A   7
LEU A  71
ARG A  74
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.62A 3ix9A-5dxvA:
14.3		 3ix9A-5dxvA:
27.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ILE A   5
LEU A  45
LEU A  71
ARG A  74
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
CME  A 140 ( 4.5A)
 0.99A 3ix9A-5dxvA:
14.3		 3ix9A-5dxvA:
27.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ILE A   5
ALA A   7
LEU A  71
ARG A  74
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.57A 3ix9B-5dxvA:
14.4		 3ix9B-5dxvA:
27.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ILE A   5
LEU A  45
LEU A  71
ARG A  74
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
CME  A 140 ( 4.5A)
 0.98A 3ix9B-5dxvA:
14.4		 3ix9B-5dxvA:
27.60
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ALA A   7
ILE A  67
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.47A 3jw3A-5dxvA:
15.4		 3jw3A-5dxvA:
34.48
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 LEU A  45
ILE A  67
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.95A 3jw3A-5dxvA:
15.4		 3jw3A-5dxvA:
34.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]
(Synechocystis
sp.
PCC
6803) 		3 / 3 PRO A 619
SER A 621
ASN A 626
 None
CME  A 642 ( 2.7A)
None
 0.87A 3lslG-4lglA:
undetectable		 3lslG-4lglA:
13.94
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.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 3n0hA-5dxvA:
12.5		 3n0hA-5dxvA:
27.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3fs5 UNCHARACTERIZED
PROTEIN YGR203W
(Saccharomyces
cerevisiae) 		5 / 12 HIS A  53
GLY A  97
ALA A 100
SER A  99
LEU A 103
 None
CME  A  90 ( 3.8A)
None
None
None
 1.26A 3n8xA-3fs5A:
undetectable		 3n8xA-3fs5A:
14.29
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.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2ga8 HYPOTHETICAL 39.9
KDA PROTEIN
(Saccharomyces
cerevisiae) 		4 / 5 VAL A  11
LEU A  15
ILE A 155
ALA A 156
 None
None
None
CME  A  45 ( 3.8A)
 0.97A 3n8yB-2ga8A:
undetectable		 3n8yB-2ga8A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
PHE A  48
THR A  63
SER A  66
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.30A 3qfxA-5dxvA:
11.8		 3qfxA-5dxvA:
26.45
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ALA A   7
PHE A  48
THR A  63
SER A  66
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.29A 3qfxB-5dxvA:
11.8		 3qfxB-5dxvA:
26.45
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
CME  A 140 ( 4.5A)
 0.63A 3qg2A-5dxvA:
12.0		 3qg2A-5dxvA:
11.74
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.47A 3qg2A-5dxvA:
12.0		 3qg2A-5dxvA:
11.74
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.66A 3qg2B-5dxvA:
11.8		 3qg2B-5dxvA:
11.74
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.68A 3qgtA-5dxvA:
11.9		 3qgtA-5dxvA:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.56A 3qgtB-5dxvA:
11.8		 3qgtB-5dxvA:
13.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.34A 3ql0A-5dxvA:
17.4		 3ql0A-5dxvA:
68.36
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.61A 3ql0A-5dxvA:
17.4		 3ql0A-5dxvA:
68.36
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 3ql3A-5dxvA:
17.4		 3ql3A-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.63A 3ql3A-5dxvA:
17.4		 3ql3A-5dxvA:
69.66
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.67A 3s3vA-5dxvA:
12.4		 3s3vA-5dxvA:
27.84
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 9 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.61A 3tq8A-5dxvA:
15.2		 3tq8A-5dxvA:
37.19
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 3tq9A-5dxvA:
15.5		 3tq9A-5dxvA:
37.19
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.73A 3tq9A-5dxvA:
15.5		 3tq9A-5dxvA:
37.19
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 3tqbA-5dxvA:
15.4		 3tqbA-5dxvA:
37.19
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 LEU A  45
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 PEG  A 202 (-4.2A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.82A 3tqbA-5dxvA:
15.4		 3tqbA-5dxvA:
37.19
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
PHE A  48
THR A  63
SER A  66
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.43A 3um5A-5dxvA:
12.1		 3um5A-5dxvA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 PHE A  48
THR A  63
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.70A 3um5A-5dxvA:
12.1		 3um5A-5dxvA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 10 ILE A   5
PHE A  48
THR A  63
SER A  66
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.72A 3um5B-5dxvA:
11.8		 3um5B-5dxvA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 12 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.82A 3uvvB-2ocfA:
25.8		 3uvvB-2ocfA:
29.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2ga8 HYPOTHETICAL 39.9
KDA PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 VAL A  25
LEU A 202
ILE A  48
ILE A 264
VAL A 159
 None
None
CME  A  45 ( 4.1A)
None
None
 0.96A 3w68D-2ga8A:
undetectable		 3w68D-2ga8A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_A_ADNA901_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		5 / 9 GLY A 370
LEU A  19
LEU A  29
ASN A  27
ILE A 282
 None
CME  A  20 ( 4.2A)
None
CME  A 373 (-3.7A)
None
 1.33A 3wdmA-1wz9A:
undetectable		 3wdmA-1wz9A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4ha6 PYRIDOXINE 4-OXIDASE
(Mesorhizobium
loti) 		5 / 9 ALA A 211
GLY A  98
LEU A  46
LEU A 216
ILE A 228
 None
CME  A 102 ( 3.4A)
None
None
None
 1.18A 3wdmC-4ha6A:
undetectable		 3wdmC-4ha6A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1475_0
(MJ0495-LIKE PROTEIN)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 8 ILE A 175
ASP A 173
ILE A 169
SER A 162
 None
CME  A 170 ( 3.5A)
CME  A 170 ( 3.9A)
None
 0.81A 4ac9C-2c5qA:
undetectable		 4ac9C-2c5qA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 116
GLN A 167
THR A 161
ILE A 169
PHE A 118
 None
EDO  A1234 (-3.6A)
None
CME  A 170 ( 3.9A)
None
 1.41A 4c49C-2c5qA:
undetectable		 4c49C-2c5qA:
22.19
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.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 4cd2A-5dxvA:
12.5		 4cd2A-5dxvA:
24.41
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.49A 4dfrB-5dxvA:
17.0		 4dfrB-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4dfrB-5dxvA:
17.0		 4dfrB-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
PHE A  48
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.62A 4eckA-5dxvA:
11.7		 4eckA-5dxvA:
11.33
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
PHE A  48
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.74A 4eckB-5dxvA:
11.6		 4eckB-5dxvA:
11.33
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.44A 4ej1B-5dxvA:
17.2		 4ej1B-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.83A 4ej1B-5dxvA:
17.2		 4ej1B-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4zv9 UNCHARACTERIZED
PROTEIN
(Escherichia
coli) 		4 / 6 GLU A 106
ILE A 114
ASN A 111
VAL A 154
 CME  A 186 ( 4.8A)
None
None
None
 1.07A 4ejwB-4zv9A:
undetectable		 4ejwB-4zv9A:
20.82
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4fhbA-5dxvA:
17.4		 4fhbA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.65A 4fhbA-5dxvA:
17.4		 4fhbA-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 6cwx RIBONUCLEASE P
PROTEIN SUBUNIT P20
(Homo
sapiens) 		4 / 7 ILE A  37
TYR A  38
PRO A  31
HIS A 131
 CME  A  52 ( 3.6A)
None
None
None
 1.06A 4g5jA-6cwxA:
undetectable		 4g5jA-6cwxA:
15.00
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.60A 4g8zX-5dxvA:
12.4		 4g8zX-5dxvA:
24.17
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
TRP A  47
PHE A  48
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4i1nA-5dxvA:
16.9		 4i1nA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
LEU A  45
TRP A  47
PHE A  48
LEU A  71
ARG A  74
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.59A 4i1nA-5dxvA:
16.9		 4i1nA-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		 1q9u UNCHARACTERIZED
PROTEIN APC35924
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A  56
LEU A 119
LEU A  23
VAL A  30
LEU A  19
 CME  A  78 ( 3.6A)
None
None
None
None
 1.00A 4k13A-1q9uA:
undetectable		 4k13A-1q9uA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.64A 4kebB-5dxvA:
12.6		 4kebB-5dxvA:
27.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.66A 4kfjB-5dxvA:
12.6		 4kfjB-5dxvA:
27.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  60
GLY A 120
ARG A  59
ILE A 146
ALA A 174
 None
None
None
CME  A 147 ( 3.9A)
CME  A 147 ( 3.5A)
 1.18A 4kicA-1upiA:
undetectable		 4kicA-1upiA:
25.35
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		11 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
ARG A  69
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.77A 4kjlA-5dxvA:
17.1		 4kjlA-5dxvA:
68.36
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 10 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.55A 4km0A-5dxvA:
13.8		 4km0A-5dxvA:
28.50
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.49A 4km0B-5dxvA:
13.9		 4km0B-5dxvA:
28.50
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.55A 4km2A-5dxvA:
14.0		 4km2A-5dxvA:
28.50
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.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
PHE A  48
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.47A 4km2B-5dxvA:
14.0		 4km2B-5dxvA:
28.50
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.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 4ky8A-5dxvA:
4.8		 4ky8A-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.08A 4ky8A-5dxvA:
4.8		 4ky8A-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.70A 4ky8B-5dxvA:
8.9		 4ky8B-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
ARG A  74
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.04A 4ky8B-5dxvA:
8.9		 4ky8B-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 4ky8C-5dxvA:
2.9		 4ky8C-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
SER A  66
ILE A  67
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.71A 4ky8C-5dxvA:
2.9		 4ky8C-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.74A 4ky8D-5dxvA:
6.3		 4ky8D-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.73A 4ky8E-5dxvA:
4.5		 4ky8E-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 11 ALA A   7
THR A  63
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.39A 4kyaA-5dxvA:
4.3		 4kyaA-5dxvA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 11 ALA A   7
THR A  63
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.39A 4kyaE-5dxvA:
12.6		 4kyaE-5dxvA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 11 ALA A   7
THR A  63
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.41A 4kyaG-5dxvA:
4.3		 4kyaG-5dxvA:
13.85
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.
4L8F_D_MTXD301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		5 / 11 PHE A 237
GLY A 356
GLY A 357
ALA A 360
GLN A 337
 None
None
None
CME  A 352 ( 4.2A)
None
 1.17A 4l8fD-5d8gA:
3.1		 4l8fD-5d8gA:
20.29
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ILE A   5
ALA A   7
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 4m2xC-5dxvA:
13.7		 4m2xC-5dxvA:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ILE A   5
ALA A   7
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.34A 4m2xG-5dxvA:
13.7		 4m2xG-5dxvA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.54A 4m6kA-5dxvA:
12.6		 4m6kA-5dxvA:
28.35
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.39A 4p66A-5dxvA:
17.4		 4p66A-5dxvA:
67.42
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
LEU A  45
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.57A 4p66A-5dxvA:
17.4		 4p66A-5dxvA:
67.42
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
PHE A  48
SER A  66
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 4p68A-5dxvA:
17.3		 4p68A-5dxvA:
67.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		4 / 8 LYS A 362
ALA A 361
LEU A 453
LYS A 382
 None
None
None
CME  A 381 ( 3.4A)
 0.72A 4po0A-2ocfA:
undetectable		 4po0A-2ocfA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 5ko3 ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 THR A 159
GLY A 161
ASN A 109
ASP A 164
SER A  85
 None
None
CME  A 111 ( 3.9A)
None
None
 1.36A 4pooB-5ko3A:
undetectable		 4pooB-5ko3A:
21.38
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4pstA-5dxvA:
undetectable		 4pstA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4pstA-5dxvA:
undetectable		 4pstA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
ALA A  46
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
EDO  A 203 (-3.6A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.47A 4psyA-5dxvA:
17.3		 4psyA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
ALA A  46
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
EDO  A 203 (-3.6A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.66A 4psyA-5dxvA:
17.3		 4psyA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.42A 4pthA-5dxvA:
17.1		 4pthA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.40A 4ptjA-5dxvA:
17.3		 4ptjA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.70A 4ptjA-5dxvA:
17.3		 4ptjA-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 4q0dA-5dxvA:
13.1		 4q0dA-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.09A 4q0dA-5dxvA:
13.1		 4q0dA-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 4q0dB-5dxvA:
13.0		 4q0dB-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.09A 4q0dB-5dxvA:
13.0		 4q0dB-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.57A 4q0dC-5dxvA:
3.1		 4q0dC-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
SER A  66
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.68A 4q0dC-5dxvA:
3.1		 4q0dC-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.57A 4q0dD-5dxvA:
3.0		 4q0dD-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 ALA A   7
SER A  66
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.68A 4q0dD-5dxvA:
3.0		 4q0dD-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		6 / 12 ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 4q0dE-5dxvA:
13.0		 4q0dE-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 12 LEU A  45
ILE A  67
LEU A  71
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.09A 4q0dE-5dxvA:
13.0		 4q0dE-5dxvA:
13.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 4qi9A-5dxvA:
16.5		 4qi9A-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.53A 4qi9A-5dxvA:
16.5		 4qi9A-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.91A 4qi9A-5dxvA:
16.5		 4qi9A-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.89A 4qi9A-5dxvA:
16.5		 4qi9A-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 4qi9B-5dxvA:
16.9		 4qi9B-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 4qi9B-5dxvA:
16.9		 4qi9B-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.79A 4qi9B-5dxvA:
16.9		 4qi9B-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.86A 4qi9B-5dxvA:
16.9		 4qi9B-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 4qi9C-5dxvA:
17.7		 4qi9C-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.60A 4qi9C-5dxvA:
17.7		 4qi9C-5dxvA:
53.80
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.36A 4qleA-5dxvA:
17.6		 4qleA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.71A 4qleA-5dxvA:
17.6		 4qleA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 4qleB-5dxvA:
17.3		 4qleB-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
LEU A  45
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.86A 4qleB-5dxvA:
17.3		 4qleB-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.31A 4qlfA-5dxvA:
17.7		 4qlfA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.68A 4qlfA-5dxvA:
17.7		 4qlfA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.42A 4qlgA-5dxvA:
17.6		 4qlgA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4qlgA-5dxvA:
17.6		 4qlgA-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.46A 4qlgB-5dxvA:
17.4		 4qlgB-5dxvA:
68.54
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.75A 4qlgB-5dxvA:
17.4		 4qlgB-5dxvA:
68.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5h3l METHYLGLYOXAL
SYNTHASE
(synthetic
construct) 		5 / 10 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.47A 4qw3H-5h3lA:
undetectable
4qw3I-5h3lA:
undetectable		 4qw3H-5h3lA:
19.23
4qw3I-5h3lA:
23.79
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.
4QW3_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5h3l METHYLGLYOXAL
SYNTHASE
(synthetic
construct) 		5 / 11 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.46A 4qw3V-5h3lA:
undetectable
4qw3W-5h3lA:
undetectable		 4qw3V-5h3lA:
19.23
4qw3W-5h3lA:
23.79
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.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 6es4 SYNCRIP, ISOFORM K
(Drosophila
melanogaster) 		5 / 12 PHE A 184
ALA A 221
LEU A 236
LEU A 195
LEU A 180
 None
CME  A 187 ( 3.7A)
None
None
None
 1.18A 4qzuC-6es4A:
undetectable		 4qzuC-6es4A:
undetectable
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4rgcA-5dxvA:
17.4		 4rgcA-5dxvA:
69.10
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.66A 4rgcA-5dxvA:
17.4		 4rgcA-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4zv9 UNCHARACTERIZED
PROTEIN
(Escherichia
coli) 		5 / 12 GLY A 210
ASN A 237
TRP A 240
ALA A 196
ALA A 213
 CME  A 186 ( 3.4A)
None
None
None
None
 1.12A 4uckB-4zv9A:
undetectable		 4uckB-4zv9A:
20.99
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 5dxv RETHREADED DHFR
(synthetic
construct) 		3 / 3 LYS A 141
ARG A  12
VAL A  10
 CME  A 140 ( 3.3A)
None
None
 0.88A 4x3uA-5dxvA:
undetectable
4x3uB-5dxvA:
undetectable		 4x3uA-5dxvA:
18.59
4x3uB-5dxvA:
18.59
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.40A 4x5fA-5dxvA:
17.5		 4x5fA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4x5fA-5dxvA:
17.5		 4x5fA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4x5fB-5dxvA:
17.5		 4x5fB-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4x5fB-5dxvA:
17.5		 4x5fB-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.38A 4x5gA-5dxvA:
17.5		 4x5gA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.72A 4x5gA-5dxvA:
17.5		 4x5gA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.44A 4x5gB-5dxvA:
17.4		 4x5gB-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.70A 4x5gB-5dxvA:
17.4		 4x5gB-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.40A 4x5hA-5dxvA:
17.2		 4x5hA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 4x5hA-5dxvA:
17.2		 4x5hA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.39A 4x5iA-5dxvA:
17.0		 4x5iA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4x5iA-5dxvA:
17.0		 4x5iA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.38A 4x5jA-5dxvA:
17.1		 4x5jA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.75A 4x5jA-5dxvA:
17.1		 4x5jA-5dxvA:
67.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4
(Homo
sapiens) 		5 / 8 ILE A 868
CYH A 319
SER A 315
LEU A 398
LEU A 401
 None
None
CME  A 311 ( 4.7A)
None
None
 1.13A 4xtaB-2y6eA:
undetectable		 4xtaB-2y6eA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6cwx RIBONUCLEASE P
PROTEIN SUBUNIT P20
(Homo
sapiens) 		5 / 12 ASN A 127
VAL A 105
ILE A  71
ILE A  82
ASN A  79
 None
None
None
None
CME  B  70 ( 4.9A)
 0.98A 4xueA-6cwxA:
undetectable		 4xueA-6cwxA:
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 5y0s THERMOTOGA MARITIMA
TMCAL
(Thermotoga
maritima) 		4 / 5 GLY A 410
TYR A 398
SER A 399
GLU A 411
 CME  A 409 ( 2.4A)
None
None
None
 1.29A 4xueA-5y0sA:
2.4		 4xueA-5y0sA:
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.
4YPM_A_BO2A801_1
(LON PROTEASE)		 6cwx RIBONUCLEASE P
PROTEIN SUBUNIT P20
RIBONUCLEASE P
PROTEIN SUBUNIT P25
(Homo
sapiens) 		5 / 12 ALA A 100
THR A 102
THR B  95
LEU B  97
THR B  74
 None
None
None
None
CME  B  70 ( 4.3A)
 1.22A 4ypmA-6cwxA:
undetectable		 4ypmA-6cwxA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2D_F_LFXF102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		3 / 4 ARG A1204
GLY A1233
GLU A1235
 CME  A1014 (-3.7A)
UDP  A1402 ( 3.9A)
None
 0.44A 4z2dB-1xv5A:
undetectable
4z2dC-1xv5A:
2.4		 4z2dB-1xv5A:
23.12
4z2dC-1xv5A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		4 / 7 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.85A 5bs8A-1xv5A:
undetectable
5bs8C-1xv5A:
undetectable
5bs8D-1xv5A:
undetectable		 5bs8A-1xv5A:
21.61
5bs8C-1xv5A:
21.61
5bs8D-1xv5A:
21.59
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		4 / 7 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.86A 5btdA-1xv5A:
undetectable
5btdB-1xv5A:
undetectable
5btdC-1xv5A:
undetectable		 5btdA-1xv5A:
21.61
5btdB-1xv5A:
21.59
5btdC-1xv5A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		4 / 7 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.83A 5btdA-1xv5A:
undetectable
5btdC-1xv5A:
undetectable
5btdD-1xv5A:
undetectable		 5btdA-1xv5A:
21.61
5btdC-1xv5A:
21.61
5btdD-1xv5A:
21.59
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		4 / 6 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.91A 5btgA-1xv5A:
undetectable
5btgB-1xv5A:
undetectable
5btgC-1xv5A:
undetectable		 5btgA-1xv5A:
21.61
5btgB-1xv5A:
21.59
5btgC-1xv5A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE
(Escherichia
virus
T4) 		4 / 7 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.88A 5btgA-1xv5A:
undetectable
5btgC-1xv5A:
undetectable
5btgD-1xv5A:
undetectable		 5btgA-1xv5A:
21.61
5btgC-1xv5A:
21.61
5btgD-1xv5A:
21.59
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.
5CZ7_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5h3l METHYLGLYOXAL
SYNTHASE
(synthetic
construct) 		5 / 11 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.50A 5cz7H-5h3lA:
0.0
5cz7I-5h3lA:
undetectable		 5cz7H-5h3lA:
19.23
5cz7I-5h3lA:
23.79
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5h3l METHYLGLYOXAL
SYNTHASE
(synthetic
construct) 		5 / 12 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.50A 5d0xH-5h3lA:
undetectable
5d0xI-5h3lA:
undetectable		 5d0xH-5h3lA:
19.23
5d0xI-5h3lA:
23.79
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 2ga8 HYPOTHETICAL 39.9
KDA PROTEIN
(Saccharomyces
cerevisiae) 		3 / 3 ASN A  49
LEU A  15
PHE A 259
 CME  A  45 ( 3.6A)
None
None
 0.72A 5dsgA-2ga8A:
undetectable		 5dsgA-2ga8A:
22.77
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 5 PHE A 118
ARG A 184
ILE A 175
ILE A 169
 None
EDO  A1234 (-2.7A)
None
CME  A 170 ( 3.9A)
 0.90A 5dzk4-2c5qA:
undetectable
5dzkg-2c5qA:
undetectable
5dzkm-2c5qA:
undetectable
5dzkn-2c5qA:
undetectable		 5dzk4-2c5qA:
10.00
5dzkg-2c5qA:
22.69
5dzkm-2c5qA:
24.15
5dzkn-2c5qA:
24.15
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.51A 5e8qA-5dxvA:
17.1		 5e8qA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.78A 5e8qA-5dxvA:
17.1		 5e8qA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.42A 5e8qB-5dxvA:
5.4		 5e8qB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.78A 5e8qB-5dxvA:
5.4		 5e8qB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.47A 5eajA-5dxvA:
17.1		 5eajA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.76A 5eajA-5dxvA:
17.1		 5eajA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.50A 5eajB-5dxvA:
17.3		 5eajB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.73A 5eajB-5dxvA:
17.3		 5eajB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 5hi6A-5dxvA:
16.8		 5hi6A-5dxvA:
55.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.89A 5hi6A-5dxvA:
16.8		 5hi6A-5dxvA:
55.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.77A 5hi6B-5dxvA:
15.8		 5hi6B-5dxvA:
55.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 12 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.84A 5hi6B-5dxvA:
15.8		 5hi6B-5dxvA:
55.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 11 TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.99A 5ji0A-2ocfA:
24.9		 5ji0A-2ocfA:
29.82
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4zv9 UNCHARACTERIZED
PROTEIN
(Escherichia
coli) 		6 / 12 ALA A 278
LEU A 281
ALA A 282
THR A 286
PHE A 208
TYR A 209
 None
None
None
None
None
CME  A 186 ( 4.8A)
 1.48A 5k9dA-4zv9A:
undetectable		 5k9dA-4zv9A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  96
ALA A 118
LEU A  61
VAL A 180
LEU A 186
 None
None
CME  A 147 ( 4.9A)
None
None
 1.07A 5lw1H-1upiA:
undetectable		 5lw1H-1upiA:
19.00
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 1.03A 5n0sA-2c5qA:
undetectable		 5n0sA-2c5qA:
19.67
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.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.98A 5n0tA-2c5qA:
undetectable		 5n0tA-2c5qA:
19.58
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n0tB-2c5qA:
undetectable		 5n0tB-2c5qA:
19.58
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n0wB-2c5qA:
undetectable		 5n0wB-2c5qA:
19.58
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.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n0xA-2c5qA:
undetectable		 5n0xA-2c5qA:
19.58
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.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n4iA-2c5qA:
undetectable		 5n4iA-2c5qA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODC_G_ACTG704_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN
(Homo
sapiens) 		4 / 5 PRO A 309
ALA A 307
LYS A 187
GLN A 195
 None
None
CME  A 188 ( 1.1A)
CME  A 188 ( 4.4A)
 1.41A 5odcA-4xq7A:
undetectable
5odcG-4xq7A:
undetectable		 5odcA-4xq7A:
19.81
5odcG-4xq7A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4cgs POLYMERASE SUBUNIT
PA
(Dhori
thogotovirus) 		3 / 3 CYH A  43
MET A  62
ASN A  61
 CME  A  44 ( 4.8A)
None
None
 0.87A 5qh8A-4cgsA:
undetectable		 5qh8A-4cgsA:
21.53
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 8 ILE A   5
ALA A   7
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.35A 5uihA-5dxvA:
17.4		 5uihA-5dxvA:
73.74
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 8 ILE A   5
LEU A  45
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
CME  A 140 ( 4.5A)
 0.61A 5uihA-5dxvA:
17.4		 5uihA-5dxvA:
73.74
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.46A 5ujxA-5dxvA:
17.2		 5ujxA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.78A 5ujxA-5dxvA:
17.2		 5ujxA-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		9 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.49A 5ujxB-5dxvA:
17.3		 5ujxB-5dxvA:
69.66
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.75A 5ujxB-5dxvA:
17.3		 5ujxB-5dxvA:
69.66
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		3 / 3 ASP A 235
ASN A 213
ASP A 210
 None
CME  A 214 ( 4.8A)
None
 0.84A 5vopA-1wz9A:
undetectable		 5vopA-1wz9A:
21.93
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.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 4g7e UREASE
(Cajanus
cajan) 		5 / 12 ILE B 610
GLY B 551
MET B 637
ALA B 636
ASP B 619
 None
NI  B 902 ( 4.9A)
CME  B 592 ( 4.9A)
CME  B 592 ( 3.9A)
None
 1.17A 5x66A-4g7eB:
undetectable
5x66B-4g7eB:
undetectable		 5x66A-4g7eB:
16.96
5x66B-4g7eB:
16.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)		 2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4
(Homo
sapiens) 		7 / 8 GLY A 303
LEU A 304
ASN A 314
SER A 315
GLN A 318
ALA A 884
PHE A 897
 None
None
CME  A 311 ( 4.7A)
CME  A 311 ( 4.7A)
None
None
None
 0.27A 5xu8A-2y6eA:
40.5		 5xu8A-2y6eA:
41.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)		 3nhe UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2
(Homo
sapiens) 		7 / 8 GLY A 268
LEU A 269
ASN A 279
SER A 280
GLN A 283
ALA A 560
PHE A 573
 None
None
CME  A 276 ( 4.0A)
CME  A 276 ( 4.5A)
None
None
None
 0.10A 5xu8A-3nheA:
49.3		 5xu8A-3nheA:
100.00
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 6bk6 HENDRA VIRUS MATRIX
PROTEIN
(Hendra
henipavirus) 		5 / 10 LEU A 194
ILE A 278
LEU A 206
LEU A 327
ALA A 203
 None
None
None
CME  A 255 ( 4.7A)
None
 1.14A 5y7pG-6bk6A:
undetectable		 5y7pG-6bk6A:
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.
5YW0_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		3 / 3 LYS A 371
ASN A  27
SER A 374
 CME  A  20 ( 3.8A)
CME  A 373 (-3.7A)
CME  A 373 ( 3.5A)
 1.15A 5yw0A-1wz9A:
undetectable		 5yw0A-1wz9A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		6 / 12 ALA A 350
TRP A 383
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.94A 5z12B-2ocfA:
25.9		 5z12B-2ocfA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ocf ESTROGEN RECEPTOR
(Homo
sapiens) 		5 / 12 ALA A 350
TRP A 383
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 1.00A 5z12C-2ocfA:
24.9		 5z12C-2ocfA:
33.33
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.39A 5z6fA-5dxvA:
17.3		 5z6fA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.69A 5z6fA-5dxvA:
17.3		 5z6fA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.38A 5z6jA-5dxvA:
17.2		 5z6jA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.67A 5z6jA-5dxvA:
17.2		 5z6jA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.38A 5z6kA-5dxvA:
17.1		 5z6kA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 12 ILE A   5
LEU A  45
TRP A  47
PHE A  48
ILE A  67
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.68A 5z6kA-5dxvA:
17.1		 5z6kA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		8 / 11 ILE A   5
ALA A   7
TRP A  47
PHE A  48
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.44A 5z6mA-5dxvA:
16.9		 5z6mA-5dxvA:
67.78
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		7 / 11 ILE A   5
LEU A  45
TRP A  47
PHE A  48
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.82A 5z6mA-5dxvA:
16.9		 5z6mA-5dxvA:
67.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ALA A   7
PHE A  48
THR A  63
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
CME  A 140 ( 4.5A)
 0.37A 6aogA-5dxvA:
12.5		 6aogA-5dxvA:
29.13
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		5 / 10 ALA A   7
PHE A  48
THR A  63
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
CME  A 140 ( 4.5A)
 0.38A 6aogB-5dxvA:
7.2		 6aogB-5dxvA:
29.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 1wz9 MASPIN PRECURSOR
(Homo
sapiens) 		4 / 7 VAL A  57
LEU A  29
PHE A 369
LEU A  19
 None
None
None
CME  A  20 ( 4.2A)
 1.04A 6aycA-1wz9A:
undetectable		 6aycA-1wz9A:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)		 4y6t COAT PROTEIN
(Tobacco
streak
virus) 		3 / 3 ARG A 207
ARG A 206
ASP A 113
 None
CME  A 201 ( 4.2A)
None
 0.79A 6d8pA-4y6tA:
undetectable		 6d8pA-4y6tA:
11.79
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		 4oya ADENYLATE CYCLASE
TYPE 10
(Homo
sapiens) 		3 / 3 TYR A  26
ALA A  17
LEU A 255
 None
CME  A 253 ( 4.4A)
None
 0.75A 6d9kF-4oyaA:
undetectable		 6d9kF-4oyaA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EF6_A_ACTA405_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2c5q RRAA-LIKE PROTEIN
YER010C
(Saccharomyces
cerevisiae) 		4 / 6 PRO A 186
GLN A 188
ARG A 184
ILE A 169
 EDO  A1234 ( 4.7A)
CME  A 170 ( 3.3A)
EDO  A1234 (-2.7A)
CME  A 170 ( 3.9A)
 1.33A 6ef6A-2c5qA:
0.0		 6ef6A-2c5qA:
22.85
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4
(Homo
sapiens) 		5 / 5 ASN A 306
TYR A 874
GLY A 875
HIS A 881
ASP A 898
 CME  A 311 ( 3.8A)
None
None
CME  A 311 ( 4.1A)
None
 0.36A 6gh9A-2y6eA:
45.8		 6gh9A-2y6eA:
18.13
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)		 5dxv RETHREADED DHFR
(synthetic
construct) 		10 / 12 ILE A   5
ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.35A 7dfrA-5dxvA:
17.1		 7dfrA-5dxvA:
69.66