SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B49'


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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
GLY A 841
VAL A 848
ALA A 866
VAL A 899
ASN A1033
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-4.5A)
 0.54A 1fmoE-4agdA:
20.3		 1fmoE-4agdA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.43A 1fohA-1t3qB:
undetectable		 1fohA-1t3qB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.45A 1fohB-1t3qB:
undetectable		 1fohB-1t3qB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1fohC-1t3qB:
undetectable		 1fohC-1t3qB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.43A 1fohD-1t3qB:
undetectable		 1fohD-1t3qB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.31A 1httB-1n60B:
undetectable		 1httB-1n60B:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.90A 1iepA-4agdA:
33.2		 1iepA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
None
 0.94A 1iepB-4agdA:
32.7		 1iepB-4agdA:
35.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 ILE B 489
GLY B 354
VAL B 392
ALA B  99
GLY B 569
 None
None
None
None
OMO  B4921 ( 3.5A)
 1.23A 1kiaB-1n60B:
undetectable		 1kiaB-1n60B:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 ALA A  51
LYS A  53
LEU A 105
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
 B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.49A 1m17A-2y7jA:
25.9		 1m17A-2y7jA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 LYS A  53
GLU A  77
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
 None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.74A 1m17A-2y7jA:
25.9		 1m17A-2y7jA:
23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.69A 1opjA-4agdA:
32.4		 1opjA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
 0.68A 1opjA-4agdA:
32.4		 1opjA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
GLY A 922
ASP A1046
 B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
None
 0.72A 1opjB-4agdA:
32.5		 1opjB-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
None
 0.81A 1opjB-4agdA:
32.5		 1opjB-4agdA:
35.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.45A 1pn0B-1t3qB:
undetectable		 1pn0B-1t3qB:
22.74
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1pn0C-1t3qB:
undetectable		 1pn0C-1t3qB:
22.74
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1pn0D-1t3qB:
undetectable		 1pn0D-1t3qB:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		11 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
LEU A 889
VAL A 899
GLY A 922
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 0.68A 1t46A-4agdA:
41.9		 1t46A-4agdA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 7 VAL A 914
CYH A 919
ARG A1027
CYH A1045
 None
B49  A2000 (-4.2A)
None
B49  A2000 ( 4.1A)
 0.95A 1t46A-4agdA:
41.9		 1t46A-4agdA:
49.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 7 VAL A 914
CYH A 919
CYH A1024
CYH A1045
 None
B49  A2000 (-4.2A)
None
B49  A2000 ( 4.1A)
 0.48A 1t46A-4agdA:
41.9		 1t46A-4agdA:
49.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
LEU A 889
CYH A 919
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.2A)
None
None
 0.69A 1uwhA-4agdA:
28.8		 1uwhA-4agdA:
28.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ILE A  30
VAL A  38
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.73A 1uwhA-2y7jA:
15.7		 1uwhA-2y7jA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
LEU A 889
CYH A 919
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.2A)
None
None
 0.70A 1uwhB-4agdA:
28.4		 1uwhB-4agdA:
28.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ILE A  30
VAL A  38
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.74A 1uwhB-2y7jA:
15.7		 1uwhB-2y7jA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLU A 885
CYH A 919
LEU A1019
HIS A1026
 None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
None
None
 0.66A 1uwjA-4agdA:
7.2		 1uwjA-4agdA:
29.05
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 ILE A  30
LEU A  81
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.88A 1uwjA-2y7jA:
7.4		 1uwjA-2y7jA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 ILE A  30
LYS A  53
LEU A  81
ILE A  90
 B49  A1294 (-3.9A)
None
None
None
 0.75A 1uwjA-2y7jA:
7.4		 1uwjA-2y7jA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLU A 885
CYH A 919
LEU A1019
HIS A1026
 None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
None
None
 0.65A 1uwjB-4agdA:
7.2		 1uwjB-4agdA:
29.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 9 LEU A 840
VAL A 848
ALA A 866
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.47A 1xbbA-4agdA:
31.0		 1xbbA-4agdA:
32.96
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 9 VAL A 421
ALA A 434
MET A 481
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
B49  A 701 (-3.4A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.43A 1xbbA-4ks8A:
26.1		 1xbbA-4ks8A:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ALA A  51
GLY A 113
ASP A 117
LEU A 160
ASP A 171
PHE A 172
 B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 0.96A 1xkkA-2y7jA:
22.4		 1xkkA-2y7jA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 VAL A  38
LEU A  93
LEU A 105
LEU A 109
MET A 110
 None
None
None
B49  A1294 ( 4.7A)
None
 0.45A 1xkkA-2y7jA:
22.4		 1xkkA-2y7jA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 553
ALA B 550
THR B 467
ILE B 738
 None
MCN  B4921 (-3.1A)
None
MCN  B4921 ( 4.5A)
 0.68A 2dtjA-1t3qB:
undetectable
2dtjB-1t3qB:
undetectable		 2dtjA-1t3qB:
13.37
2dtjB-1t3qB:
13.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
ALA A 866
GLU A 885
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.69A 2gqgA-4agdA:
30.5		 2gqgA-4agdA:
35.28
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ALA A 434
LYS A 436
MET A 456
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 B49  A 701 (-3.2A)
None
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.59A 2gqgA-4ks8A:
26.5		 2gqgA-4ks8A:
24.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
VAL A 899
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.53A 2gqgB-4agdA:
30.1		 2gqgB-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.93A 2hyyA-4agdA:
33.2		 2hyyA-4agdA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.91A 2hyyB-4agdA:
33.4		 2hyyB-4agdA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.80A 2hyyC-4agdA:
33.0		 2hyyC-4agdA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.94A 2hyyD-4agdA:
33.7		 2hyyD-4agdA:
35.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ALA A  51
LYS A  53
LEU A 105
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.66A 2itoA-2y7jA:
24.6		 2itoA-2y7jA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
ALA A 866
LYS A 868
GLU A 885
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.74A 2itoA-4agdA:
29.9		 2itoA-4agdA:
30.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 ALA A 434
LYS A 436
MET A 456
GLY A 487
ASP A 491
LEU A 533
 B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
 0.68A 2itoA-4ks8A:
25.1		 2itoA-4ks8A:
26.14
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.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 GLY A 414
VAL A 421
ALA A 434
LYS A 436
MET A 456
GLY A 487
LEU A 533
ASP A 544
 B49  A 701 ( 4.3A)
None
B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.74A 2ityA-4ks8A:
25.1		 2ityA-4ks8A:
26.33
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLY A 113
ASP A 117
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.66A 2itzA-2y7jA:
24.4		 2itzA-2y7jA:
20.76
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 VAL A 421
ALA A 434
LYS A 436
MET A 456
GLY A 487
ASP A 491
LEU A 533
ASP A 544
 None
B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.75A 2itzA-4ks8A:
25.5		 2itzA-4ks8A:
26.33
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.
2ITZ_A_IREA2021_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		3 / 3 LEU A 105
LEU A 109
MET A 110
 None
B49  A1294 ( 4.7A)
None
 0.35A 2itzA-2y7jA:
24.4		 2itzA-2y7jA:
20.76
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 GLY A  31
VAL A  38
LYS A  53
LEU A  81
LEU A 105
LEU A 160
ASP A 171
 B49  A1294 (-4.0A)
None
None
None
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.60A 2ivuA-2y7jA:
26.7		 2ivuA-2y7jA:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
GLY A 841
VAL A 848
GLU A 885
LEU A 889
VAL A 916
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
None
None
B49  A2000 (-4.8A)
 0.39A 2ivuA-4agdA:
32.0		 2ivuA-4agdA:
43.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLN A 106
ILE B 670
GLY B 509
ALA B 550
VAL B 551
 MCN  B4921 ( 3.7A)
MCN  B4921 (-3.5A)
MCN  B4921 ( 4.3A)
MCN  B4921 (-3.1A)
None
 1.00A 2oc8A-1t3qA:
undetectable		 2oc8A-1t3qA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B 553
GLY B 470
GLY B 468
GLY B 549
LEU B 635
 None
None
None
MCN  B4921 (-3.2A)
None
 1.07A 2oxtA-1t3qB:
undetectable		 2oxtA-1t3qB:
16.15
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 ILE A 413
VAL A 421
ALA A 434
GLY A 487
LEU A 533
ASP A 544
 B49  A 701 (-4.2A)
None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.51A 2y7jA-4ks8A:
22.1		 2y7jA-4ks8A:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 10 ILE A 413
VAL A 421
ALA A 434
GLY A 487
LEU A 533
ASP A 544
 B49  A 701 (-4.2A)
None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.46A 2y7jB-4ks8A:
30.9		 2y7jB-4ks8A:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 10 ILE A 413
VAL A 421
ALA A 434
GLY A 487
ASP A 491
LEU A 533
 B49  A 701 (-4.2A)
None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
 0.57A 2y7jC-4ks8A:
30.8		 2y7jC-4ks8A:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 10 ILE A 413
VAL A 421
ALA A 434
GLY A 487
ASP A 491
LEU A 533
 B49  A 701 (-4.2A)
None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
 0.45A 2y7jD-4ks8A:
30.6		 2y7jD-4ks8A:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 5 PHE B 271
PRO B 734
VAL B 298
PHE B 728
 MCN  B4920 ( 3.5A)
None
None
None
 1.28A 2ygnA-1n60B:
undetectable		 2ygnA-1n60B:
10.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 10 LEU A 840
ALA A 866
LYS A 868
VAL A 899
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.78A 3aoxA-4agdA:
29.6		 3aoxA-4agdA:
33.79
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LEU A  93
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.38A 3bbtB-2y7jA:
22.2		 3bbtB-2y7jA:
21.55
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
ASP A 171
PHE A 172
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 0.87A 3bbtB-2y7jA:
22.2		 3bbtB-2y7jA:
21.55
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLY A 113
LEU A 160
ASP A 171
PHE A 172
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 1.08A 3bbtD-2y7jA:
22.5		 3bbtD-2y7jA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		12 / 12 LEU A 840
GLY A 841
GLU A 850
ALA A 866
LYS A 868
VAL A 899
VAL A 916
PHE A 918
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.8A)
B49  A2000 (-4.4A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
 0.62A 3c7qA-4agdA:
39.4		 3c7qA-4agdA:
89.77
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 GLY A 414
ALA A 434
LYS A 436
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 B49  A 701 ( 4.3A)
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.73A 3c7qA-4ks8A:
22.2		 3c7qA-4ks8A:
28.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 10 LEU A 840
VAL A 848
VAL A 899
PHE A 918
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
None
 0.83A 3cs9A-4agdA:
33.3		 3cs9A-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
GLY A 922
HIS A1026
LEU A1035
 B49  A2000 (-3.5A)
None
None
B49  A2000 ( 3.7A)
None
B49  A2000 (-4.5A)
 0.75A 3cs9A-4agdA:
33.2		 3cs9A-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
ILE A 892
GLY A 922
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 ( 3.7A)
None
 0.68A 3cs9B-4agdA:
31.2		 3cs9B-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
ILE A 892
GLY A 922
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 ( 3.7A)
None
None
 0.70A 3cs9B-4agdA:
31.2		 3cs9B-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
ILE A 892
PHE A 918
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
None
 0.64A 3cs9C-4agdA:
30.3		 3cs9C-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
ILE A 892
PHE A 918
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.4A)
None
None
 0.64A 3cs9C-4agdA:
30.3		 3cs9C-4agdA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
None
 0.71A 3cs9D-4agdA:
31.7		 3cs9D-4agdA:
35.28
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 GLY A 414
GLY A 416
GLY A 419
VAL A 421
ALA A 434
LYS A 436
MET A 481
LEU A 533
 B49  A 701 ( 4.3A)
None
None
None
B49  A 701 (-3.2A)
None
B49  A 701 (-3.4A)
B49  A 701 (-4.5A)
 0.60A 3eygA-4ks8A:
26.7		 3eygA-4ks8A:
26.96
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 GLY A 414
GLY A 416
GLY A 419
VAL A 421
ALA A 434
LYS A 436
MET A 481
LEU A 533
 B49  A 701 ( 4.3A)
None
None
None
B49  A 701 (-3.2A)
None
B49  A 701 (-3.4A)
B49  A 701 (-4.5A)
 0.65A 3fupA-4ks8A:
26.7		 3fupA-4ks8A:
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 GLY A 414
ALA A 434
LYS A 436
VAL A 465
MET A 481
LEU A 484
LEU A 533
 B49  A 701 ( 4.3A)
B49  A 701 (-3.2A)
None
None
B49  A 701 (-3.4A)
B49  A 701 (-4.4A)
B49  A 701 (-4.5A)
 0.54A 3fupB-4ks8A:
26.6		 3fupB-4ks8A:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 11 LEU A 840
VAL A 848
ALA A 866
VAL A 899
CYH A 919
GLY A 922
LEU A1035
ALA A1050
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.75A 3g0eA-4agdA:
39.8		 3g0eA-4agdA:
50.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 11 LEU A 840
VAL A 848
ALA A 866
VAL A 899
CYH A 919
GLY A 922
LEU A1035
CYH A1045
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
 0.68A 3g0eA-4agdA:
39.8		 3g0eA-4agdA:
50.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 11 LEU A 840
VAL A 848
ALA A 866
CYH A 919
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.75A 3g0fA-4agdA:
39.5		 3g0fA-4agdA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 10 LEU A 840
VAL A 848
ALA A 866
CYH A 919
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.63A 3g0fB-4agdA:
39.8		 3g0fB-4agdA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
VAL A 899
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.53A 3g5dA-4agdA:
29.5		 3g5dA-4agdA:
31.62
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLU A 885
LEU A 889
HIS A1026
PHE A1047
 None
B49  A2000 (-3.5A)
None
None
None
B49  A2000 (-4.0A)
 0.86A 3gp0A-4agdA:
21.8		 3gp0A-4agdA:
24.94
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
LEU A 889
HIS A1026
ASP A1046
PHE A1047
 None
B49  A2000 (-3.5A)
None
None
None
B49  A2000 (-4.0A)
 0.95A 3gp0A-4agdA:
21.8		 3gp0A-4agdA:
24.94
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 7 LYS A  53
LEU A 105
LEU A 109
MET A 110
ILE A  90
 None
None
B49  A1294 ( 4.7A)
None
None
 1.46A 3gp0A-2y7jA:
24.2		 3gp0A-2y7jA:
24.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
None
 0.76A 3gvuA-4agdA:
32.5		 3gvuA-4agdA:
37.29
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG A 101
THR B 513
THR A 145
 None
MCN  B4921 (-2.6A)
FES  A4907 ( 4.7A)
 0.80A 3k2hB-1t3qA:
undetectable		 3k2hB-1t3qA:
14.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.86A 3k5vA-4agdA:
32.5		 3k5vA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.86A 3k5vB-4agdA:
26.3		 3k5vB-4agdA:
35.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.98A 3ko0D-1n60B:
undetectable
3ko0E-1n60B:
0.0		 3ko0D-1n60B:
8.91
3ko0E-1n60B:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.05A 3ko0D-1t3qB:
0.6
3ko0E-1t3qB:
0.6		 3ko0D-1t3qB:
7.50
3ko0E-1t3qB:
7.50
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.99A 3ko0B-1n60B:
0.4
3ko0J-1n60B:
0.0		 3ko0B-1n60B:
8.91
3ko0J-1n60B:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.06A 3ko0B-1t3qB:
0.9
3ko0J-1t3qB:
0.4		 3ko0B-1t3qB:
7.50
3ko0J-1t3qB:
7.50
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 8 ALA A  51
LEU A 105
LEU A 109
MET A 110
 B49  A1294 (-3.2A)
None
B49  A1294 ( 4.7A)
None
 0.29A 3lfaA-2y7jA:
23.6		 3lfaA-2y7jA:
24.51
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 11 ILE A  30
ALA A  51
MET A 110
GLY A 113
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 0.90A 3miyA-2y7jA:
24.0		 3miyA-2y7jA:
22.28
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 11 ILE A  30
ALA A  51
PHE A 107
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.73A 3miyA-2y7jA:
24.0		 3miyA-2y7jA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 11 ALA A 866
LYS A 868
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.79A 3miyA-4agdA:
30.2		 3miyA-4agdA:
30.40
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 11 ILE A 413
ALA A 434
LYS A 436
VAL A 465
PHE A 483
GLY A 487
LEU A 533
SER A 543
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
 0.65A 3miyA-4ks8A:
24.9		 3miyA-4ks8A:
28.19
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 11 ILE A 413
ALA A 434
VAL A 465
PHE A 483
GLY A 487
LEU A 533
SER A 543
ASP A 544
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
B49  A 701 (-4.6A)
 0.73A 3miyA-4ks8A:
24.9		 3miyA-4ks8A:
28.19
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
ALA A  51
MET A 110
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.81A 3miyB-2y7jA:
24.0		 3miyB-2y7jA:
22.28
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
ALA A  51
PHE A 107
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.68A 3miyB-2y7jA:
24.0		 3miyB-2y7jA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 9 ALA A 866
LYS A 868
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.71A 3miyB-4agdA:
30.1		 3miyB-4agdA:
30.40
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 9 ILE A 413
ALA A 434
LYS A 436
PHE A 483
GLY A 487
LEU A 533
SER A 543
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
 0.63A 3miyB-4ks8A:
24.6		 3miyB-4ks8A:
28.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.86A 3ms9A-4agdA:
32.4		 3ms9A-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.86A 3ms9B-4agdA:
32.8		 3ms9B-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.88A 3mssA-4agdA:
32.7		 3mssA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.60A 3mssB-4agdA:
32.5		 3mssB-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
 0.81A 3mssB-4agdA:
32.5		 3mssB-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.90A 3mssC-4agdA:
32.7		 3mssC-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.80A 3mssD-4agdA:
32.7		 3mssD-4agdA:
35.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 ALA A 434
GLU A 452
ILE A 455
PHE A 483
GLY A 487
LEU A 533
 B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.88A 3mssD-4ks8A:
23.1		 3mssD-4ks8A:
23.72
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.
3OHT_A_1N1A1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  81
ILE A  91
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
 0.76A 3ohtA-2y7jA:
4.1		 3ohtA-2y7jA:
25.43
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.
3OHT_B_1N1B1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  81
GLY A 113
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
 0.91A 3ohtB-2y7jA:
19.5		 3ohtB-2y7jA:
25.43
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.
3OHT_B_1N1B1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LYS A  53
LEU A  81
ILE A  91
GLY A 113
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
B49  A1294 (-3.6A)
 0.94A 3ohtB-2y7jA:
19.5		 3ohtB-2y7jA:
25.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 899
GLY A 922
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
None
None
 0.78A 3oxzA-4agdA:
31.8		 3oxzA-4agdA:
34.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.83A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.68A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
 0.81A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
None
 0.78A 3pyyB-4agdA:
31.2		 3pyyB-4agdA:
37.05
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 VAL A  38
ALA A  51
GLU A  77
LEU A  81
ILE A  91
PHE A 107
LEU A 144
HIS A 151
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
None
None
 0.76A 3rgfA-2y7jA:
24.0		 3rgfA-2y7jA:
25.11
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 5 SER B 506
PRO B 249
TYR B  33
VAL B 248
 MCN  B4921 (-2.6A)
None
None
None
 1.30A 3sufC-1t3qB:
undetectable		 3sufC-1t3qB:
16.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
VAL A 848
ALA A 866
VAL A 899
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.48A 3sxrB-4agdA:
28.1		 3sxrB-4agdA:
32.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 9 ILE A 413
ALA A 434
VAL A 465
PHE A 483
LEU A 533
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 (-4.5A)
 0.61A 3ti1A-4ks8A:
25.5		 3ti1A-4ks8A:
31.63
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.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ALA A 434
LYS A 436
GLU A 452
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 B49  A 701 (-3.2A)
None
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.61A 3ue4A-4ks8A:
26.6		 3ue4A-4ks8A:
24.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.64A 3ue4B-4agdA:
31.5		 3ue4B-4agdA:
34.55
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 VAL A 421
ALA A 434
GLU A 452
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.64A 3ue4B-4ks8A:
26.0		 3ue4B-4ks8A:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		9 / 12 VAL A  38
ALA A  51
LYS A  53
LEU A 105
LEU A 109
MET A 110
GLY A 113
ASP A 117
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.60A 3ug2A-2y7jA:
25.0		 3ug2A-2y7jA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  33
VAL A  38
ALA A  51
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
None
None
B49  A1294 (-3.2A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 1.05A 3v5wA-2y7jA:
10.9		 3v5wA-2y7jA:
19.63
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 GLY A 416
GLY A 419
VAL A 421
ALA A 434
VAL A 465
LEU A 533
SER A 543
ASP A 544
 None
None
None
B49  A 701 (-3.2A)
None
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
B49  A 701 (-4.6A)
 0.95A 3v5wA-4ks8A:
11.1		 3v5wA-4ks8A:
18.40
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 GLY A 416
VAL A 421
ALA A 434
LYS A 436
VAL A 465
LEU A 533
SER A 543
 None
None
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
 0.92A 3v5wA-4ks8A:
11.1		 3v5wA-4ks8A:
18.40
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ILE A 413
GLY A 416
GLY A 419
VAL A 421
ALA A 434
SER A 543
ASP A 544
 B49  A 701 (-4.2A)
None
None
None
B49  A 701 (-3.2A)
B49  A 701 (-3.0A)
B49  A 701 (-4.6A)
 0.83A 3v5wA-4ks8A:
11.1		 3v5wA-4ks8A:
18.40
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 ILE A 413
GLY A 416
VAL A 421
ALA A 434
LYS A 436
SER A 543
 B49  A 701 (-4.2A)
None
None
B49  A 701 (-3.2A)
None
B49  A 701 (-3.0A)
 0.84A 3v5wA-4ks8A:
11.1		 3v5wA-4ks8A:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
GLY A 841
ALA A 866
GLU A 885
LEU A 889
VAL A 916
CYH A 919
CYH A1045
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
B49  A2000 (-4.2A)
B49  A2000 ( 4.1A)
 0.79A 3wzdA-4agdA:
37.6		 3wzdA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
LEU A 889
VAL A 916
CYH A 919
GLY A 922
CYH A1045
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 ( 4.1A)
 0.49A 3wzdA-4agdA:
37.6		 3wzdA-4agdA:
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.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		4 / 5 LYS A 436
ILE A 455
VAL A 465
LEU A 533
 None
None
None
B49  A 701 (-4.5A)
 0.91A 3wzdA-4ks8A:
23.1		 3wzdA-4ks8A:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		4 / 5 LYS A 436
VAL A 465
LEU A 533
ASP A 544
 None
None
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.76A 3wzdA-4ks8A:
23.1		 3wzdA-4ks8A:
27.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		11 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
LEU A 889
ILE A 892
VAL A 916
PHE A 918
GLY A 922
LEU A1019
HIS A1026
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
None
B49  A2000 (-4.8A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
None
None
 0.57A 3wzeA-4agdA:
44.7		 3wzeA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 8 VAL A 898
VAL A 899
CYH A 919
LEU A1035
ILE A1044
CYH A1045
ASP A1046
PHE A1047
 None
B49  A2000 ( 4.6A)
B49  A2000 (-4.2A)
B49  A2000 (-4.5A)
None
B49  A2000 ( 4.1A)
None
B49  A2000 (-4.0A)
 0.49A 3wzeA-4agdA:
44.7		 3wzeA-4agdA:
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 ALA A  51
LEU A 109
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.33A 3zbfA-2y7jA:
25.6		 3zbfA-2y7jA:
24.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
ALA A 866
LYS A 868
GLU A 885
LEU A1019
HIS A1026
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 0.85A 3zosA-4agdA:
33.1		 3zosA-4agdA:
30.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 ALA A 866
LYS A 868
GLU A 885
HIS A1026
ARG A1027
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 1.11A 3zosB-4agdA:
33.5		 3zosB-4agdA:
30.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 ALA A 866
LYS A 868
GLU A 885
LEU A1019
HIS A1026
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 0.89A 3zosB-4agdA:
33.5		 3zosB-4agdA:
30.11
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.
4ACB_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		4 / 6 THR A 535
GLY A 486
ILE A 492
LEU A 533
 None
None
None
B49  A 701 (-4.5A)
 0.95A 4acbC-4ks8A:
undetectable		 4acbC-4ks8A:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		12 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
VAL A 899
VAL A 916
PHE A 918
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.8A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.57A 4ag8A-4agdA:
45.2		 4ag8A-4agdA:
89.52
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 VAL A 421
ALA A 434
LYS A 436
GLU A 452
PHE A 483
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.73A 4ag8A-4ks8A:
22.8		 4ag8A-4ks8A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 VAL A 421
ALA A 434
LYS A 436
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
None
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.65A 4ag8A-4ks8A:
22.8		 4ag8A-4ks8A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 ILE A 804
LEU A 840
VAL A 848
ALA A 866
GLU A 885
VAL A 916
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 None
B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.42A 4agcA-4agdA:
48.6		 4agcA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 ILE A 804
LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 None
B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.52A 4agcA-4agdA:
48.6		 4agcA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
LEU A 889
VAL A 916
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.45A 4agcA-4agdA:
48.6		 4agcA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLU A 885
LEU A 889
GLY A 922
LEU A1035
CYH A1045
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
B49  A2000 (-4.0A)
 0.56A 4agcA-4agdA:
48.6		 4agcA-4agdA:
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 11 ALA A 434
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.43A 4agdA-4ks8A:
21.9		 4agdA-4ks8A:
27.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 LEU A  81
ASP A 153
LYS A 155
ASN A 158
ASP A 171
 None
None
None
None
B49  A1294 (-4.2A)
 0.67A 4an2A-2y7jA:
25.1		 4an2A-2y7jA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		11 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
LEU A 889
VAL A 916
PHE A 918
GLY A 922
LEU A1019
HIS A1026
PHE A1047
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
None
None
B49  A2000 (-4.0A)
 0.59A 4asdA-4agdA:
34.3		 4asdA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		10 / 12 VAL A 848
ALA A 866
LYS A 868
GLU A 885
LEU A 889
VAL A 916
GLY A 922
LEU A1019
HIS A1026
PHE A1047
 None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
None
None
B49  A2000 (-4.0A)
 0.77A 4asdA-4agdA:
34.3		 4asdA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 6 ILE A 892
VAL A 899
CYH A 919
LEU A1035
ILE A1044
CYH A1045
 None
B49  A2000 ( 4.6A)
B49  A2000 (-4.2A)
B49  A2000 (-4.5A)
None
B49  A2000 ( 4.1A)
 0.36A 4asdA-4agdA:
34.3		 4asdA-4agdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 888
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.5A)
None
 0.97A 4bkjB-4agdA:
32.0		 4bkjB-4agdA:
30.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 10 LEU A 840
GLY A 841
GLY A 843
VAL A 848
ALA A 866
VAL A 916
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
None
B49  A2000 (-3.5A)
B49  A2000 (-4.8A)
B49  A2000 (-4.5A)
 0.42A 4ckjA-4agdA:
32.9		 4ckjA-4agdA:
43.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 888
LEU A1035
ASP A1046
PHE A1047
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 1.02A 4csvA-4agdA:
31.4		 4csvA-4agdA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 888
VAL A 899
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
None
 0.89A 4csvA-4agdA:
31.4		 4csvA-4agdA:
37.79
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 SER B 215
ASN B 273
GLY B 269
GLY A  41
 None
None
MCN  B4920 ( 3.7A)
FES  A4908 (-4.3A)
 0.74A 4fo4B-1n60B:
undetectable		 4fo4B-1n60B:
20.27
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A 105
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.66A 4i22A-2y7jA:
22.2		 4i22A-2y7jA:
20.96
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		8 / 12 GLY A 414
VAL A 421
ALA A 434
LYS A 436
MET A 481
GLY A 487
ASP A 491
LEU A 533
 B49  A 701 ( 4.3A)
None
B49  A 701 (-3.2A)
None
B49  A 701 (-3.4A)
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
 0.59A 4i22A-4ks8A:
23.1		 4i22A-4ks8A:
26.61
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 VAL A  38
ALA A  51
ILE A  91
ASP A 117
ASP A 153
LYS A 155
ASN A 158
LEU A 160
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
None
None
None
None
B49  A1294 (-4.4A)
 0.86A 4i41A-2y7jA:
29.7		 4i41A-2y7jA:
25.72
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 ILE A  30
ALA A  51
GLY A 113
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 0.72A 4ks8A-2y7jA:
30.6		 4ks8A-2y7jA:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 10 ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.43A 4ks8A-4agdA:
6.6		 4ks8A-4agdA:
27.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L8W_G_MTXG301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 9 PHE B 255
GLY B 740
GLY B 742
CYH B 666
GLU B 664
 MCN  B4921 ( 3.8A)
MCN  B4921 (-3.5A)
MCN  B4921 (-3.4A)
MCN  B4921 (-3.6A)
None
 1.30A 4l8wG-1t3qB:
undetectable		 4l8wG-1t3qB:
16.62
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 VAL A  38
ALA A  51
MET A 110
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-4.4A)
 0.59A 4l9iA-2y7jA:
12.0		 4l9iA-2y7jA:
24.28
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 8 GLY A  33
VAL A  38
ALA A  51
LYS A  53
MET A 110
LEU A 160
 None
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-4.4A)
 0.89A 4l9iB-2y7jA:
28.3		 4l9iB-2y7jA:
24.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.58A 4mkcA-4agdA:
30.2		 4mkcA-4agdA:
35.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 11 LEU A 840
GLY A 841
VAL A 848
ALA A 866
LYS A 868
ASN A1033
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 (-4.5A)
 0.60A 4o0sA-4agdA:
17.4		 4o0sA-4agdA:
25.42
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.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 6 VAL A 848
ALA A 866
LYS A 868
LEU A1035
 None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 (-4.5A)
 0.34A 4o0uA-4agdA:
16.1		 4o0uA-4agdA:
25.14
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 GLY A  31
VAL A  38
ALA A  51
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 (-4.4A)
 0.24A 4o0wA-2y7jA:
31.2		 4o0wA-2y7jA:
26.56
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 6 LEU A 840
GLY A 841
VAL A 848
ALA A 866
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-3.5A)
B49  A2000 (-4.5A)
 0.47A 4o0wA-4agdA:
23.0		 4o0wA-4agdA:
25.14
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.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B 517
GLY B 737
SER B 731
ILE B 738
ASN B 639
 None
None
None
MCN  B4921 ( 4.5A)
None
 1.03A 4o1eA-1t3qB:
undetectable		 4o1eA-1t3qB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B 517
GLY B 737
SER B 731
ILE B 738
ASN B 639
 None
None
None
MCN  B4921 ( 4.5A)
None
 1.07A 4o1eB-1t3qB:
undetectable		 4o1eB-1t3qB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 7 GLY A 841
ALA A 866
CYH A 919
LEU A1035
 B49  A2000 ( 4.6A)
B49  A2000 (-3.5A)
B49  A2000 (-4.2A)
B49  A2000 (-4.5A)
 0.33A 4ogrE-4agdA:
21.7		 4ogrE-4agdA:
26.37
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
GLY A 841
GLY A 846
VAL A 848
ALA A 866
VAL A 899
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
 0.37A 4otiA-4agdA:
18.5		 4otiA-4agdA:
26.78
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 5 THR B 525
THR B 567
THR B 656
HIS B 754
 None
MCN  B4920 (-3.8A)
None
None
 1.19A 4pgfB-1n60B:
undetectable		 4pgfB-1n60B:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 11 ILE A 413
ALA A 434
LYS A 436
GLU A 452
MET A 481
LEU A 484
ASP A 544
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
None
B49  A 701 (-3.4A)
B49  A 701 (-4.4A)
B49  A 701 (-4.6A)
 1.18A 4qmsA-4ks8A:
37.2		 4qmsA-4ks8A:
38.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ILE A 413
GLY A 414
VAL A 421
ALA A 434
MET A 481
LEU A 484
LEU A 533
 B49  A 701 (-4.2A)
B49  A 701 ( 4.3A)
None
B49  A 701 (-3.2A)
B49  A 701 (-3.4A)
B49  A 701 (-4.4A)
B49  A 701 (-4.5A)
 0.38A 4qmzA-4ks8A:
38.1		 4qmzA-4ks8A:
38.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 ILE A 413
GLY A 414
VAL A 421
LEU A 484
GLY A 486
LEU A 533
 B49  A 701 (-4.2A)
B49  A 701 ( 4.3A)
None
B49  A 701 (-4.4A)
None
B49  A 701 (-4.5A)
 0.97A 4qmzA-4ks8A:
38.1		 4qmzA-4ks8A:
38.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
VAL A 916
ARG A1027
LEU A 802
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 1.02A 4qrcA-4agdA:
35.2		 4qrcA-4agdA:
49.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
VAL A 916
LEU A1019
ARG A1027
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 0.91A 4qrcA-4agdA:
35.2		 4qrcA-4agdA:
49.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
VAL A 916
LEU A1019
CYH A1024
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 0.87A 4qrcA-4agdA:
35.2		 4qrcA-4agdA:
49.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 VAL A 848
ALA A 866
LYS A 868
GLU A 885
CYH A 919
CYH A1024
LEU A1035
ASP A1046
PHE A1047
 None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 (-4.2A)
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 0.63A 4r7iA-4agdA:
40.8		 4r7iA-4agdA:
50.69
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 ILE A  30
ALA A  51
LYS A  53
ILE A  91
LEU A 109
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.6A)
B49  A1294 ( 4.7A)
B49  A1294 (-4.4A)
 0.60A 4rz7A-2y7jA:
11.7		 4rz7A-2y7jA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
HIS A1026
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 0.96A 4tyjA-4agdA:
35.3		 4tyjA-4agdA:
47.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 916
CYH A1024
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
None
B49  A2000 (-4.5A)
None
 0.86A 4tyjA-4agdA:
35.3		 4tyjA-4agdA:
47.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 916
HIS A1026
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
None
B49  A2000 (-4.5A)
None
 0.81A 4tyjA-4agdA:
35.3		 4tyjA-4agdA:
47.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 10 LEU A 840
VAL A 848
GLU A 885
VAL A 899
VAL A 914
ILE A1044
 B49  A2000 (-3.7A)
None
None
B49  A2000 ( 4.6A)
None
None
 0.46A 4u0iA-4agdA:
41.5		 4u0iA-4agdA:
49.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 ALA A 866
LEU A 889
CYH A 919
GLY A 922
CYH A1024
LEU A1035
CYH A1045
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
None
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
None
 0.69A 4u0iA-4agdA:
41.5		 4u0iA-4agdA:
49.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 ALA A 866
LEU A 889
CYH A 919
GLY A 922
HIS A1026
LEU A1035
CYH A1045
ASP A1046
PHE A1047
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
None
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
None
B49  A2000 (-4.0A)
 0.67A 4u0iA-4agdA:
41.5		 4u0iA-4agdA:
49.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LYS A 868
LEU A 889
GLY A 922
CYH A1024
LEU A1035
CYH A1045
ASP A1046
 B49  A2000 (-3.0A)
None
B49  A2000 ( 3.7A)
None
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
None
 0.89A 4u0iA-4agdA:
41.5		 4u0iA-4agdA:
49.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LYS A 868
LEU A 889
GLY A 922
HIS A1026
LEU A1035
CYH A1045
ASP A1046
PHE A1047
 B49  A2000 (-3.0A)
None
B49  A2000 ( 3.7A)
None
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
None
B49  A2000 (-4.0A)
 0.84A 4u0iA-4agdA:
41.5		 4u0iA-4agdA:
49.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 916
LEU A1019
CYH A1024
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
None
None
 1.08A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 916
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
None
None
 0.98A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
ALA A 866
GLU A 885
HIS A1026
LEU A1035
PHE A1047
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.5A)
B49  A2000 (-4.0A)
 0.93A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
ALA A 866
GLU A 885
VAL A 916
LEU A1019
CYH A1024
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
B49  A2000 (-4.5A)
 0.89A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
ALA A 866
GLU A 885
VAL A 916
LEU A1019
HIS A1026
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
B49  A2000 (-4.5A)
 0.74A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
ALA A 866
HIS A1026
LEU A1035
ASP A1046
PHE A1047
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
B49  A2000 (-4.5A)
None
B49  A2000 (-4.0A)
 1.00A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
ALA A 866
LEU A1019
HIS A1026
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.5A)
None
 0.69A 4uxqA-4agdA:
35.5		 4uxqA-4agdA:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
ILE A 892
VAL A 916
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.8A)
None
None
 0.59A 4v01A-4agdA:
34.8		 4v01A-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
ILE A 892
VAL A 916
LEU A1019
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
None
 0.72A 4v01A-4agdA:
34.8		 4v01A-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 9 LEU A 840
VAL A 848
CYH A1024
LEU A1035
ILE A1044
 B49  A2000 (-3.7A)
None
None
B49  A2000 (-4.5A)
None
 0.50A 4v01A-4agdA:
34.8		 4v01A-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
VAL A 916
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 0.53A 4v01B-4agdA:
35.1		 4v01B-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
VAL A 916
LEU A1019
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
B49  A2000 (-4.8A)
None
None
None
 0.74A 4v01B-4agdA:
35.1		 4v01B-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 9 LEU A 840
VAL A 848
LYS A 868
ILE A 892
LEU A1035
ILE A1044
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.0A)
None
B49  A2000 (-4.5A)
None
 0.71A 4v01B-4agdA:
35.1		 4v01B-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 VAL A 848
ALA A 866
GLU A 885
VAL A 916
LEU A1019
CYH A1024
 None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 0.82A 4v04A-4agdA:
34.6		 4v04A-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
VAL A 916
LEU A1019
HIS A1026
ASP A1046
 None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
None
 0.71A 4v04A-4agdA:
34.6		 4v04A-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
GLU A 885
VAL A 916
LEU A1019
CYH A1024
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
 0.93A 4v04B-4agdA:
35.5		 4v04B-4agdA:
49.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
VAL A 916
LEU A1019
HIS A1026
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
None
None
None
 0.67A 4v04B-4agdA:
35.5		 4v04B-4agdA:
49.58
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 11 ALA A  51
LYS A  53
MET A 110
GLY A 113
ASN A 158
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 1.00A 4wa9A-2y7jA:
22.4		 4wa9A-2y7jA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
ASN A 158
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.90A 4wa9B-2y7jA:
25.4		 4wa9B-2y7jA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ALA A  51
LYS A  53
LEU A 105
LEU A 109
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.49A 4wkqA-2y7jA:
25.5		 4wkqA-2y7jA:
23.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
LYS A 868
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.63A 4xeyA-4agdA:
31.6		 4xeyA-4agdA:
32.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.58A 4xeyA-4agdA:
31.6		 4xeyA-4agdA:
32.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.61A 4xeyB-4agdA:
30.9		 4xeyB-4agdA:
32.42
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ALA A  51
LEU A 109
MET A 110
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-4.4A)
 0.18A 4xoyA-2y7jA:
11.1		 4xoyA-2y7jA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ALA A  51
LEU A 109
MET A 110
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-4.4A)
 0.25A 4xp3A-2y7jA:
27.7		 4xp3A-2y7jA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 SER B 389
SER B 570
GLU B 488
GLU B 763
 None
MCN  B4920 (-4.3A)
None
OMO  B4921 ( 3.3A)
 1.18A 4xzkA-1n60B:
0.0		 4xzkA-1n60B:
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 10 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.80A 5aabA-2y7jA:
24.0		 5aabA-2y7jA:
23.76
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.54A 5aacA-2y7jA:
4.0		 5aacA-2y7jA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 LEU A 840
ALA A 866
LYS A 868
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.88A 5ajqA-4agdA:
21.3		 5ajqA-4agdA:
25.33
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
GLY A 841
ALA A 866
PHE A 918
CYH A 919
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
B49  A2000 (-3.5A)
B49  A2000 (-4.4A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.76A 5ajqA-4agdA:
21.3		 5ajqA-4agdA:
25.33
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
GLY A 841
PHE A 918
CYH A 919
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.96A 5ajqA-4agdA:
21.3		 5ajqA-4agdA:
25.33
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 VAL A 848
ALA A 866
LYS A 868
LEU A 889
CYH A 919
 None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
None
B49  A2000 (-4.2A)
 0.74A 5cswA-4agdA:
26.0		 5cswA-4agdA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.26A 5e3iA-1n60B:
undetectable		 5e3iA-1n60B:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 11 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.29A 5e3iB-1n60B:
undetectable		 5e3iB-1n60B:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B 509
GLN B 508
LEU B  27
ILE A 121
HIS A 103
 MCN  B4921 ( 4.3A)
MCN  B4921 (-3.8A)
None
None
None
 1.28A 5fsaB-1t3qB:
2.0		 5fsaB-1t3qB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.46A 5h2uA-2y7jA:
11.8		 5h2uA-2y7jA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.84A 5h2uB-2y7jA:
8.1		 5h2uB-2y7jA:
24.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 LEU A 840
ALA A 866
LYS A 868
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.67A 5h2uC-4agdA:
4.0		 5h2uC-4agdA:
33.33
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
LEU A 889
CYH A 919
LEU A1019
HIS A1026
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.2A)
None
None
 0.66A 5hi2A-4agdA:
27.7		 5hi2A-4agdA:
27.62
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
ILE A  91
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.56A 5i9xA-2y7jA:
24.3		 5i9xA-2y7jA:
22.92
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
LYS A  53
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.64A 5i9xA-2y7jA:
24.3		 5i9xA-2y7jA:
22.92
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
LYS A  53
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.67A 5i9yA-2y7jA:
24.1		 5i9yA-2y7jA:
22.92
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ILE A 413
ALA A 434
LYS A 436
MET A 456
GLY A 487
LEU A 533
SER A 543
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
B49  A 701 (-3.0A)
 0.74A 5i9yA-4ks8A:
23.8		 5i9yA-4ks8A:
28.40
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.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 7 GLY A 841
GLY A 843
GLY A 846
VAL A 848
 B49  A2000 ( 4.6A)
None
None
None
 0.29A 5izjB-4agdA:
21.0		 5izjB-4agdA:
23.21
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.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 7 GLY A 414
GLY A 416
SER A 417
GLY A 419
VAL A 421
 B49  A 701 ( 4.3A)
None
None
None
None
 0.71A 5izjB-4ks8A:
28.1		 5izjB-4ks8A:
27.43
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.
5JCN_B_ASCB502_0
(OS09G0567300 PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLU B 202
PRO B 200
GLY B 252
PHE B 255
 None
None
None
MCN  B4921 ( 3.8A)
 1.45A 5jcnB-1t3qB:
undetectable		 5jcnB-1t3qB:
20.05
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 11 LEU A 840
GLY A 841
VAL A 848
ALA A 866
VAL A 899
LEU A1035
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
 0.47A 5lvnA-4agdA:
22.2		 5lvnA-4agdA:
25.56
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
GLY A  31
VAL A  38
ALA A  51
ILE A  91
MET A 110
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
None
 0.46A 5lw1B-2y7jA:
23.8		 5lw1B-2y7jA:
13.89
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 GLY A  31
VAL A  38
ALA A  51
ILE A  91
LEU A 109
MET A 110
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
B49  A1294 ( 4.7A)
None
 0.54A 5lw1E-2y7jA:
23.4		 5lw1E-2y7jA:
13.89
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 GLY A  31
VAL A  38
ALA A  51
LEU A 109
MET A 110
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
 0.43A 5lw1H-2y7jA:
12.5		 5lw1H-2y7jA:
13.89
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  31
VAL A  38
ALA A  51
LYS A  53
GLY A 113
GLU A 114
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 ( 4.7A)
 0.72A 5mafA-2y7jA:
31.3		 5mafA-2y7jA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  31
VAL A  38
LYS A  53
GLU A  77
GLY A 113
GLU A 114
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
None
None
B49  A1294 (-3.6A)
B49  A1294 ( 4.7A)
 0.80A 5mafA-2y7jA:
31.3		 5mafA-2y7jA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 10 LEU A 840
VAL A 848
GLU A 885
PHE A 918
GLY A 922
PHE A1047
 B49  A2000 (-3.7A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.0A)
 1.03A 5mo4A-4agdA:
9.2		 5mo4A-4agdA:
27.79
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.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 12 ALA A 866
VAL A 899
HIS A1026
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
None
B49  A2000 (-4.5A)
None
 0.73A 5mo4A-4agdA:
9.2		 5mo4A-4agdA:
27.79
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 HIS B 532
ALA B 537
ILE B 546
ALA B 541
VAL B 519
 MCN  B4920 (-3.7A)
None
None
None
None
 1.04A 5n0tB-1n60B:
undetectable		 5n0tB-1n60B:
20.54
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 ASP B  30
PHE B  33
GLY B 529
GLY B 531
 None
None
MCN  B4920 (-3.5A)
MCN  B4920 ( 4.2A)
 0.99A 5n9xA-1n60B:
undetectable		 5n9xA-1n60B:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 HIS B 510
ILE B 557
GLY B 553
GLY B 549
ALA B 487
 MCN  B4921 (-3.7A)
None
None
MCN  B4921 (-3.2A)
None
 0.98A 5o96C-1t3qB:
undetectable
5o96D-1t3qB:
undetectable		 5o96C-1t3qB:
15.45
5o96D-1t3qB:
15.45
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 8 ALA A 866
GLU A 885
CYH A 919
LEU A1035
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 (-4.5A)
 0.57A 5owrA-4agdA:
19.4		 5owrA-4agdA:
25.07
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		6 / 12 ALA A 866
GLU A 885
VAL A 899
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.57A 5te0A-4agdA:
22.3		 5te0A-4agdA:
25.60
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 LEU A 423
ALA A 434
GLU A 452
PHE A 483
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.73A 5te0A-4ks8A:
26.0		 5te0A-4ks8A:
27.99
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 LEU A 423
ALA A 434
VAL A 465
PHE A 483
GLY A 487
LEU A 533
 None
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.54A 5te0A-4ks8A:
26.0		 5te0A-4ks8A:
27.99
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		4 / 5 LEU A 840
VAL A 848
CYH A 919
CYH A1045
 B49  A2000 (-3.7A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 4.1A)
 0.59A 5te0A-4agdA:
22.3		 5te0A-4agdA:
25.60
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		5 / 9 LEU A 840
ALA A 866
VAL A 899
CYH A 919
GLY A 922
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
 0.40A 5w5vA-4agdA:
4.7		 5w5vA-4agdA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLU A  77
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.88A 5y7zA-2y7jA:
28.0		 5y7zA-2y7jA:
11.69
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLU A  77
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.88A 5y7zA-2y7jA:
28.0		 5y7zA-2y7jA:
26.85
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
CYH A 919
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.70A 5y7zA-4agdA:
21.9		 5y7zA-4agdA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
CYH A 919
GLY A 922
LEU A1035
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.70A 5y7zA-4agdA:
21.9		 5y7zA-4agdA:
25.41
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		8 / 12 LEU A 840
ALA A 866
GLU A 885
CYH A 919
GLY A 922
LEU A1035
CYH A1045
ASP A1046
 B49  A2000 (-3.7A)
B49  A2000 (-3.5A)
None
B49  A2000 (-4.2A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
B49  A2000 ( 4.1A)
None
 0.99A 5y7zB-4agdA:
22.0		 5y7zB-4agdA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 VAL A  38
LYS A  53
ILE A  91
PHE A 107
ASP A 171
 None
None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
B49  A1294 (-4.2A)
 0.99A 5yf9X-2y7jA:
27.1		 5yf9X-2y7jA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LEU A 105
ASP A 117
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-4.4A)
 0.73A 5yu9B-2y7jA:
22.4		 5yu9B-2y7jA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		6 / 12 GLY A 414
VAL A 421
ALA A 434
ASP A 491
LEU A 533
ASP A 544
 B49  A 701 ( 4.3A)
None
B49  A 701 (-3.2A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.72A 5yu9B-4ks8A:
23.2		 5yu9B-4ks8A:
14.19
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
GLY A 113
ASP A 117
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.2A)
 0.70A 5yu9C-2y7jA:
21.9		 5yu9C-2y7jA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
LEU A 105
GLY A 113
ASP A 117
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
None
 0.49A 5yu9C-2y7jA:
21.9		 5yu9C-2y7jA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 12 VAL A 421
ALA A 434
GLY A 487
ASP A 491
ASP A 544
 None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.6A)
 0.70A 5yu9C-4ks8A:
23.0		 5yu9C-4ks8A:
14.19
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
GLY A 113
ASP A 117
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.69A 5yu9D-2y7jA:
22.5		 5yu9D-2y7jA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		5 / 12 VAL A 421
ALA A 434
GLY A 487
ASP A 491
LEU A 533
 None
B49  A 701 (-3.2A)
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
 0.48A 5yu9D-4ks8A:
23.6		 5yu9D-4ks8A:
14.19
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 VAL A  38
ILE A  91
PHE A 107
ASP A 171
 None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
B49  A1294 (-4.2A)
 0.71A 5ywmX-2y7jA:
27.0		 5ywmX-2y7jA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
GLY A 841
PHE A1047
ALA A 866
GLU A 885
VAL A 916
GLY A 922
 B49  A2000 (-3.7A)
B49  A2000 ( 4.6A)
B49  A2000 (-4.0A)
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
 1.22A 5zv2A-4agdA:
34.0		 5zv2A-4agdA:
15.94
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
PHE A1047
VAL A 848
ALA A 866
GLU A 885
VAL A 916
GLY A 922
 B49  A2000 (-3.7A)
B49  A2000 (-4.0A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
 0.84A 5zv2A-4agdA:
34.0		 5zv2A-4agdA:
15.94
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		3 / 3 LYS A  53
LEU A 160
ASP A 171
 None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.67A 5zv2A-2y7jA:
23.1		 5zv2A-2y7jA:
12.15
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		3 / 3 LYS A 436
LEU A 533
ASP A 544
 None
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.80A 5zv2A-4ks8A:
23.0		 5zv2A-4ks8A:
15.36
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 LEU A 840
PHE A1047
VAL A 848
ALA A 866
GLU A 885
VAL A 916
GLY A 922
 B49  A2000 (-3.7A)
B49  A2000 (-4.0A)
None
B49  A2000 (-3.5A)
None
B49  A2000 (-4.8A)
B49  A2000 ( 3.7A)
 0.83A 5zv2B-4agdA:
34.0		 5zv2B-4agdA:
15.94
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
ILE A  91
MET A 110
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.6A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.38A 6bsdA-2y7jA:
23.3		 6bsdA-2y7jA:
11.05
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 GLN B 528
GLY B 760
SER B 572
VAL B 490
 MCN  B4920 (-4.0A)
MCN  B4920 (-3.6A)
MCN  B4920 (-2.6A)
None
 0.72A 6ekzA-1n60B:
0.0		 6ekzA-1n60B:
8.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FNM_A_1N1A1001_1
(-)		 4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens) 		7 / 12 ILE A 413
VAL A 421
ALA A 434
LYS A 436
MET A 456
GLY A 487
LEU A 533
 B49  A 701 (-4.2A)
None
B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 (-4.5A)
 0.78A 6fnmA-4ks8A:
24.4		 6fnmA-4ks8A:
32.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
None
 0.80A 6hd4A-4agdA:
32.5		 6hd4A-4agdA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.5A)
None
 0.79A 6hd4B-4agdA:
26.1		 6hd4B-4agdA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		7 / 12 VAL A 848
ALA A 866
GLU A 885
VAL A 899
PHE A 918
LEU A1035
ASP A1046
 None
B49  A2000 (-3.5A)
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.83A 6hd6A-4agdA:
32.4		 6hd6A-4agdA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens) 		9 / 12 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
VAL A 899
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 ( 4.6A)
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.86A 6hd6B-4agdA:
32.1		 6hd6B-4agdA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 VAL B 489
ILE B 531
GLY B 740
ALA B 554
 None
None
MCN  B4921 (-3.5A)
None
 0.70A 6hd6B-1t3qB:
undetectable		 6hd6B-1t3qB:
6.91