SIMILAR PATTERNS OF AMINO ACIDS FOR 5HES_A_032A401

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		6 GLY A 267
VAL A 230
ALA A 309
ILE A  93
ALA A 219
GLY A 208
 None
 1.42A 5hesA-1by8A:
undetectable		 5hesA-1by8A:
20.61
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 GLY A 500
VAL A 503
ALA A 508
ILE A 348
THR A 511
ALA A 469
 None
 1.43A 5hesA-1k25A:
undetectable		 5hesA-1k25A:
18.85
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.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 428
ILE A 472
THR A 474
TYR A 476
PHE A 540
GLY A 541
 None
 0.80A 5hesA-1k2pA:
10.0		 5hesA-1k2pA:
29.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 416
ALA A 428
ILE A 472
TYR A 476
PHE A 540
GLY A 541
 None
 0.73A 5hesA-1k2pA:
10.0		 5hesA-1k2pA:
29.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 VAL A 209
ALA A 220
ILE A 264
THR A 266
ASP A 276
PHE A 333
GLY A 334
 None
 0.99A 5hesA-1k9aA:
27.1		 5hesA-1k9aA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 VAL A 209
ALA A 220
ILE A 264
THR A 266
TYR A 268
ASP A 276
PHE A 333
 None
 0.85A 5hesA-1k9aA:
27.1		 5hesA-1k9aA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		6 GLY A 208
ALA A 217
ILE A  39
ILE A  32
ALA A 191
PHE A  58
 None
None
None
None
None
NAD  A1201 (-3.6A)
 1.39A 5hesA-1kaeA:
undetectable		 5hesA-1kaeA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 GLY A 268
VAL A 275
ALA A 288
ILE A 332
THR A 334
 P16  A   2 ( 4.3A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.1A)
P16  A   2 (-3.7A)
 0.69A 5hesA-1opkA:
10.6		 5hesA-1opkA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  86
ALA A  99
ILE A 145
CYH A 211
PHE A 213
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.5A)
5EA  A1001 (-3.6A)
 0.56A 5hesA-1s9iA:
8.3		 5hesA-1s9iA:
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 VAL A  42
ALA A  55
ILE A  89
TYR A 107
PHE A 170
GLY A 171
 None
 1.15A 5hesA-1u5qA:
23.4		 5hesA-1u5qA:
26.27
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL X  25
ALA X  37
ILE X  80
THR X  82
ASP X  92
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-4.1A)
None
 0.43A 5hesA-2dq7X:
9.7		 5hesA-2dq7X:
29.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL X  25
ALA X  37
ILE X  80
THR X  82
TYR X  84
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-4.1A)
STU  X 902 (-4.6A)
 0.58A 5hesA-2dq7X:
9.7		 5hesA-2dq7X:
29.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 VAL A  42
ALA A  55
ILE A  89
TYR A 107
PHE A 170
GLY A 171
 STU  A 400 ( 4.8A)
STU  A 400 (-3.2A)
STU  A 400 ( 4.5A)
STU  A 400 (-4.5A)
None
None
 1.03A 5hesA-2gcdA:
24.4		 5hesA-2gcdA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 ALA A 293
ILE A 336
THR A 338
ASP A 348
PHE A 405
GLY A 406
 H8H  A 534 (-3.2A)
H8H  A 534 ( 4.5A)
H8H  A 534 (-3.1A)
None
None
None
 0.88A 5hesA-2h8hA:
9.6		 5hesA-2h8hA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 VAL A 281
ALA A 293
ILE A 336
THR A 338
TYR A 340
ASP A 348
PHE A 405
 H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 ( 4.5A)
H8H  A 534 (-3.1A)
H8H  A 534 (-4.3A)
None
None
 0.85A 5hesA-2h8hA:
9.6		 5hesA-2h8hA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 VAL A 281
ALA A 293
ILE A 336
THR A 338
ASP A 348
PHE A 405
 QUE  A   1 ( 4.8A)
QUE  A   1 (-3.5A)
None
QUE  A   1 (-3.3A)
QUE  A   1 ( 4.1A)
None
 0.84A 5hesA-2hckA:
10.7		 5hesA-2hckA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 VAL A 643
ALA A 659
ILE A 691
ILE A 705
THR A 707
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
None
None
ADP  A 400 (-4.7A)
 0.41A 5hesA-2henA:
11.0		 5hesA-2henA:
31.52
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 259
ALA A 271
ILE A 314
THR A 316
ASP A 326
 1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.9A)
1BM  A 499 (-3.2A)
None
 0.59A 5hesA-2hk5A:
25.7		 5hesA-2hk5A:
26.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 256
ALA A 269
ILE A 313
THR A 315
ASP A 325
 GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.8A)
GIN  A 600 (-3.4A)
None
 0.63A 5hesA-2hz0A:
8.1		 5hesA-2hz0A:
32.52
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 259
ALA A 271
ILE A 314
THR A 316
TYR A 318
ASP A 326
 None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 4.6A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.7A)
None
 0.64A 5hesA-2og8A:
25.7		 5hesA-2og8A:
27.78
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.
2psq FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 495
ALA A 515
ILE A 548
ALA A 567
PHE A 645
GLY A 646
 None
 1.03A 5hesA-2psqA:
26.3		 5hesA-2psqA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2psq FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 495
ALA A 515
ILE A 548
TYR A 566
ALA A 567
PHE A 645
 None
 0.83A 5hesA-2psqA:
26.3		 5hesA-2psqA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 204
ALA A 215
THR A 265
ASP A 275
PHE A 340
GLY A 341
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
None
None
None
 1.10A 5hesA-2qluA:
8.7		 5hesA-2qluA:
29.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 635
ALA A 651
ILE A 683
ILE A 697
THR A 699
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.54A 5hesA-2qobA:
11.7		 5hesA-2qobA:
31.58
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.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 689
ALA A 705
ILE A 737
ILE A 751
THR A 753
TYR A 755
 None
 0.59A 5hesA-2r2pA:
10.8		 5hesA-2r2pA:
27.19
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.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 689
ALA A 705
ILE A 737
THR A 753
TYR A 755
PHE A 819
 None
 0.79A 5hesA-2r2pA:
10.8		 5hesA-2r2pA:
27.19
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.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 VAL A 635
ALA A 651
ILE A 683
ILE A 697
THR A 699
TYR A 701
 Q9G  A1898 ( 4.7A)
Q9G  A1898 (-3.2A)
Q9G  A1898 ( 4.9A)
Q9G  A1898 ( 4.6A)
Q9G  A1898 (-3.5A)
Q9G  A1898 (-4.8A)
 0.59A 5hesA-2xyuA:
11.2		 5hesA-2xyuA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		6 GLY A 453
ALA A  92
ILE A 290
ALA A  89
ASP A 182
GLY A 286
 None
 1.35A 5hesA-2y35A:
undetectable		 5hesA-2y35A:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 GLY B 500
VAL B 503
ALA B 508
ILE B 348
THR B 511
ALA B 469
 None
 1.47A 5hesA-2z2mB:
undetectable		 5hesA-2z2mB:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2w WEE1-LIKE PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 313
ALA A 326
ILE A 374
TYR A 378
ASP A 386
 770  A 901 ( 4.7A)
770  A 901 (-3.5A)
None
770  A 901 (-4.2A)
None
 0.54A 5hesA-2z2wA:
22.2		 5hesA-2z2wA:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2t FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 495
ALA A 515
ILE A 548
ALA A 567
PHE A 645
GLY A 646
 M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
None
M33  A1996 (-3.8A)
None
None
 1.05A 5hesA-3b2tA:
25.4		 5hesA-3b2tA:
30.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2t FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 495
ALA A 515
ILE A 548
TYR A 566
ALA A 567
PHE A 645
 M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
None
M33  A1996 ( 4.7A)
M33  A1996 (-3.8A)
None
 0.84A 5hesA-3b2tA:
25.4		 5hesA-3b2tA:
30.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 492
ALA A 512
ILE A 545
ALA A 564
PHE A 642
GLY A 643
 None
C4F  A   1 (-3.3A)
C4F  A   1 ( 4.0A)
C4F  A   1 (-3.5A)
C4F  A   1 ( 4.5A)
None
 0.88A 5hesA-3c4fA:
27.2		 5hesA-3c4fA:
30.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 209
ALA A 220
ILE A 264
THR A 266
ASP A 276
PHE A 333
GLY A 334
 None
 0.99A 5hesA-3d7uA:
27.4		 5hesA-3d7uA:
31.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 209
ALA A 220
ILE A 264
THR A 266
TYR A 268
ASP A 276
PHE A 333
 None
 0.85A 5hesA-3d7uA:
27.4		 5hesA-3d7uA:
31.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 158
ALA A 169
ILE A 204
ALA A 223
PHE A 295
 VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 ( 4.9A)
VIN  A6331 (-3.8A)
None
 0.50A 5hesA-3dtcA:
14.8		 5hesA-3dtcA:
40.00
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 ALA A  36
ILE A  63
TYR A 119
CYH A 184
PHE A 186
GLY A 187
 DRK  A 384 (-3.5A)
DRK  A 384 ( 4.5A)
DRK  A 384 (-4.4A)
DRK  A 384 ( 3.8A)
None
None
 1.09A 5hesA-3eb0A:
5.8		 5hesA-3eb0A:
26.18
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 VAL A  23
ALA A  36
ILE A  63
TYR A 119
CYH A 184
PHE A 186
 None
DRK  A 384 (-3.5A)
DRK  A 384 ( 4.5A)
DRK  A 384 (-4.4A)
DRK  A 384 ( 3.8A)
None
 1.02A 5hesA-3eb0A:
5.8		 5hesA-3eb0A:
26.18
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  52
ALA A  65
ILE A 104
ASP A 131
PHE A 187
GLY A 188
 985  A   1 (-4.5A)
985  A   1 (-3.5A)
985  A   1 ( 4.7A)
None
None
None
 1.21A 5hesA-3f2aA:
7.0		 5hesA-3f2aA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbz KINASE, CMGC CDK

(Giardia
intestinalis) 		PF00069
(Pkinase) 		5 VAL A  29
ALA A  42
ILE A  75
TYR A  93
ALA A  94
 None
 0.56A 5hesA-3gbzA:
23.7		 5hesA-3gbzA:
24.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 704
THR A 768
TYR A 770
ASP A 778
PHE A 834
 ANP  A   1 (-3.9A)
ANP  A   1 ( 4.8A)
ANP  A   1 (-4.3A)
None
None
 0.70A 5hesA-3kexA:
27.1		 5hesA-3kexA:
30.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 ALA A 665
ILE A 697
ILE A 711
THR A 713
TYR A 715
PHE A 779
 None
None
None
None
GOL  A 403 (-4.1A)
None
 0.84A 5hesA-3kulA:
10.6		 5hesA-3kulA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		7 VAL A 649
ALA A 665
ILE A 697
ILE A 711
THR A 713
PHE A 779
GLY A 780
 None
 1.09A 5hesA-3kulA:
10.6		 5hesA-3kulA:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 VAL A 689
ALA A 700
ILE A 729
ILE A 743
ASP A 754
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 ( 4.9A)
 0.56A 5hesA-3lj0A:
6.7		 5hesA-3lj0A:
24.55
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  47
ALA A  60
ILE A  94
TYR A 112
ALA A 113
PHE A 180
 QUE  A   1 ( 4.6A)
QUE  A   1 (-3.2A)
QUE  A   1 (-4.6A)
QUE  A   1 (-4.9A)
QUE  A   1 (-3.9A)
None
 0.91A 5hesA-3lm5A:
10.4		 5hesA-3lm5A:
26.91
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		6 VAL A  42
ALA A  55
ILE A  88
ILE A 107
ALA A 112
CYH A 171
 None
GOL  A 434 ( 4.1A)
None
None
GOL  A 434 (-3.9A)
GOL  A 433 ( 3.7A)
 0.71A 5hesA-3n9xA:
20.0		 5hesA-3n9xA:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 VAL A  44
ALA A  57
ILE A  90
ILE A 109
ALA A 114
CYH A 173
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 ( 4.5A)
None
ANP  A 430 (-3.9A)
ANP  A 430 ( 3.8A)
 0.64A 5hesA-3nieA:
6.1		 5hesA-3nieA:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		7 VAL A 565
ALA A 576
ILE A 623
THR A 625
CYH A 693
PHE A 695
GLY A 696
 STU  A   1 (-4.9A)
STU  A   1 (-3.3A)
None
STU  A   1 (-4.1A)
STU  A   1 (-3.5A)
None
None
 1.07A 5hesA-3ppzA:
10.3		 5hesA-3ppzA:
35.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		7 VAL A 565
ALA A 576
ILE A 623
THR A 625
TYR A 627
CYH A 693
PHE A 695
 STU  A   1 (-4.9A)
STU  A   1 (-3.3A)
None
STU  A   1 (-4.1A)
STU  A   1 (-4.4A)
STU  A   1 (-3.5A)
None
 0.86A 5hesA-3ppzA:
10.3		 5hesA-3ppzA:
35.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 431
ALA A 443
ILE A 487
THR A 489
TYR A 491
 PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 (-3.6A)
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.9A)
 0.45A 5hesA-3sxsA:
10.4		 5hesA-3sxsA:
31.58
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 492
ALA A 512
ILE A 545
TYR A 563
ALA A 564
PHE A 642
GLY A 643
 07J  A   1 (-4.0A)
07J  A   1 (-3.5A)
07J  A   1 (-3.8A)
07J  A   1 (-4.7A)
07J  A   1 (-3.8A)
07J  A   1 ( 4.6A)
None
 0.88A 5hesA-3tt0A:
25.8		 5hesA-3tt0A:
28.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		6 ALA A  49
ILE A  93
TYR A  97
ALA A  98
CYH A 160
GLY A 163
 None
None
None
None
CO  A 363 (-2.0A)
None
 1.26A 5hesA-3uc3A:
8.7		 5hesA-3uc3A:
30.03
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 ILE A 299
ILE A 276
THR A 273
ALA A 306
ASP A 257
GLY A 290
 None
None
None
None
TAR  A 507 ( 4.5A)
None
 1.31A 5hesA-3wn6A:
undetectable		 5hesA-3wn6A:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 633
ALA A 649
ILE A 681
ILE A 695
THR A 697
 None
 0.44A 5hesA-3zfxA:
10.9		 5hesA-3zfxA:
31.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 105
ALA A 121
ILE A 153
ILE A 167
THR A 169
 30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
None
None
30K  A1365 (-3.8A)
 0.43A 5hesA-4aw5A:
11.1		 5hesA-4aw5A:
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		6 VAL A 254
ALA A 267
ILE A 302
TYR A 320
ALA A 321
PHE A 383
 None
 0.86A 5hesA-4c0tA:
7.1		 5hesA-4c0tA:
13.90
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.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 624
ALA A 653
ILE A 685
THR A 701
TYR A 703
 DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.0A)
 0.61A 5hesA-4ckrA:
9.6		 5hesA-4ckrA:
27.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		6 GLY A  60
VAL A  54
ALA A 132
THR A 131
ALA A  17
GLY A 122
 GLY  A  60 ( 0.0A)
VAL  A  54 ( 0.6A)
ALA  A 132 ( 0.0A)
THR  A 131 ( 0.8A)
ALA  A  17 ( 0.0A)
GLY  A 122 ( 0.0A)
 1.43A 5hesA-4egsA:
undetectable		 5hesA-4egsA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gic HISTIDINOL
DEHYDROGENASE

(Methylococcus
capsulatus) 		PF00815
(Histidinol_dh) 		6 GLY A 216
ALA A 225
ILE A  41
ILE A  34
ALA A 199
PHE A  60
 None
 1.46A 5hesA-4gicA:
undetectable		 5hesA-4gicA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		6 ILE A 190
THR A 205
ALA A 208
ASP A 215
PHE A 271
GLY A 272
 None
 0.83A 5hesA-4hzsA:
13.7		 5hesA-4hzsA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		7 VAL A 140
ALA A 156
ILE A 190
THR A 205
ALA A 208
ASP A 215
PHE A 271
 None
 0.72A 5hesA-4hzsA:
13.7		 5hesA-4hzsA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4id7 ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 140
ALA A 156
ILE A 190
THR A 205
ALA A 208
ASP A 215
PHE A 271
 1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-4.3A)
1G0  A 401 (-3.2A)
1G0  A 401 (-3.8A)
None
1G0  A 401 ( 4.8A)
 0.95A 5hesA-4id7A:
9.5		 5hesA-4id7A:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 VAL A 281
ALA A 293
ILE A 336
TYR A 340
PHE A 405
 0J9  A 601 (-4.4A)
0J9  A 601 (-3.3A)
0J9  A 601 (-4.4A)
0J9  A 601 ( 4.7A)
None
 0.45A 5hesA-4k11A:
9.5		 5hesA-4k11A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 486
ALA A 506
ILE A 539
ALA A 558
PHE A 636
GLY A 637
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.7A)
None
None
 1.15A 5hesA-4k33A:
10.1		 5hesA-4k33A:
29.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 486
ALA A 506
ILE A 539
TYR A 557
ALA A 558
PHE A 636
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-3.7A)
None
 0.94A 5hesA-4k33A:
10.1		 5hesA-4k33A:
29.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL B  38
ALA B  51
ILE B  97
TYR B 101
ASP B 109
PHE B 163
 ADP  B 500 (-4.5A)
ADP  B 500 (-3.3A)
None
ADP  B 500 ( 4.7A)
None
None
 0.85A 5hesA-4o27B:
24.3		 5hesA-4o27B:
30.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p2k EPHRIN TYPE-A
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 627
ALA A 644
ILE A 676
ILE A 690
THR A 692
TYR A 694
 None
 0.55A 5hesA-4p2kA:
10.7		 5hesA-4p2kA:
30.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		6 GLY A 228
VAL A 206
ALA A 212
THR A 215
ALA A 232
GLY A 221
 None
None
None
None
289  A 416 (-3.5A)
None
 1.32A 5hesA-4q1qA:
undetectable		 5hesA-4q1qA:
20.69
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 VAL A  35
ALA A  49
ILE A  83
ILE A 102
CYH A 166
 ANP  A 402 (-4.3A)
ANP  A 402 (-3.3A)
ANP  A 402 (-4.8A)
None
ANP  A 402 ( 4.3A)
 0.54A 5hesA-4qnyA:
6.1		 5hesA-4qnyA:
26.94
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  56
ALA A  69
ILE A 101
ILE A 120
CYH A 183
 None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
None
38Z  A 418 ( 3.8A)
 0.68A 5hesA-4qtbA:
20.3		 5hesA-4qtbA:
27.11
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		6 VAL A  32
ALA A  45
ILE A  79
TYR A  97
ASP A 105
GLY A 161
 STU  A 601 ( 4.8A)
STU  A 601 (-3.2A)
STU  A 601 ( 4.6A)
STU  A 601 (-4.4A)
None
None
 1.20A 5hesA-4rewA:
7.4		 5hesA-4rewA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		6 VAL A  22
ALA A  35
ILE A  79
THR A  81
TYR A  83
ASP A  91
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
 0.61A 5hesA-4ueuA:
14.0		 5hesA-4ueuA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		6 VAL A  22
ALA A  35
THR A  81
TYR A  83
ASP A  91
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
None
 0.91A 5hesA-4ueuA:
14.0		 5hesA-4ueuA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 158
ALA A 169
ILE A 204
ALA A 223
PHE A 295
 None
 0.53A 5hesA-4uy9A:
32.8		 5hesA-4uy9A:
40.92
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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  60
ALA A  72
ILE A 124
CYH A 193
PHE A 195
GLY A 196
 KSA  A 405 ( 4.9A)
KSA  A 405 (-3.2A)
None
KSA  A 405 (-3.4A)
None
None
 1.11A 5hesA-4wsqA:
7.1		 5hesA-4wsqA:
24.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 501
ILE A 534
ALA A 553
PHE A 631
GLY A 632
 40M  A1002 ( 4.1A)
40M  A1002 (-4.0A)
40M  A1002 (-3.7A)
40M  A1002 ( 4.2A)
None
 0.68A 5hesA-4xcuA:
26.4		 5hesA-4xcuA:
30.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 481
ALA A 501
ILE A 534
ALA A 553
PHE A 631
 40M  A1002 ( 4.5A)
40M  A1002 ( 4.1A)
40M  A1002 (-4.0A)
40M  A1002 (-3.7A)
40M  A1002 ( 4.2A)
 0.61A 5hesA-4xcuA:
26.4		 5hesA-4xcuA:
30.18
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.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 5 VAL B 275
ALA B 288
ILE B 332
THR B 334
ASP B 344
 1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.1A)
1N1  B 601 (-3.3A)
None
 0.59A 5hesA-4xeyB:
25.9		 5hesA-4xeyB:
26.18
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.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 VAL A 416
ALA A 428
ILE A 472
THR A 474
TYR A 476
PHE A 540
 None
 0.83A 5hesA-4xi2A:
10.0		 5hesA-4xi2A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		6 VAL A 416
ALA A 428
ILE A 472
THR A 474
TYR A 476
PHE A 540
 746  A 702 ( 4.3A)
746  A 702 (-2.4A)
None
746  A 702 (-3.7A)
746  A 702 (-4.4A)
None
 0.73A 5hesA-4y93A:
14.5		 5hesA-4y93A:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 488
ILE A 522
ILE A 537
THR A 539
TYR A 541
GLY A 608
 4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.80A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 488
ILE A 522
THR A 539
TYR A 541
PHE A 607
GLY A 608
 4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
None
 1.04A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 477
ALA A 488
ILE A 522
ILE A 537
THR A 539
TYR A 541
 None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
 0.48A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 477
ALA A 488
ILE A 522
THR A 539
TYR A 541
PHE A 607
 None
4CV  A 801 (-3.5A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
4CV  A 801 (-3.9A)
None
 0.84A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 492
ALA A 512
ILE A 545
TYR A 563
ALA A 564
PHE A 642
GLY A 643
 38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.3A)
38O  A1769 (-4.2A)
38O  A1769 (-3.9A)
EDO  A1766 (-3.7A)
EDO  A1766 (-3.6A)
 0.85A 5hesA-5a46A:
2.4		 5hesA-5a46A:
30.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ALA A 134
ILE A 130
THR A 131
TYR A 133
ALA A 150
GLY A  84
 None
 1.45A 5hesA-5ahkA:
undetectable		 5hesA-5ahkA:
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.
5es1 MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		6 VAL A  70
ALA A  83
TYR A 134
ALA A 135
ASP A 142
GLY A 198
 5RC  A4000 (-4.6A)
5RC  A4000 (-3.6A)
5RC  A4000 (-4.5A)
5RC  A4000 (-3.7A)
None
None
 1.15A 5hesA-5es1A:
7.5		 5hesA-5es1A:
27.76
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.
5es1 MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		6 VAL A  70
TYR A 134
ALA A 135
ASP A 142
PHE A 197
GLY A 198
 5RC  A4000 (-4.6A)
5RC  A4000 (-4.5A)
5RC  A4000 (-3.7A)
None
None
None
 1.33A 5hesA-5es1A:
7.5		 5hesA-5es1A:
27.76
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.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 911
ALA A 928
ILE A 960
TYR A 980
ASP A 988
PHE A1042
 5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
5U3  A1200 (-4.6A)
5U3  A1200 (-4.5A)
None
None
 1.06A 5hesA-5f1zA:
24.9		 5hesA-5f1zA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 471
ALA A 481
ILE A 527
THR A 529
PHE A 595
GLY A 596
 5XJ  A 801 (-4.6A)
5XJ  A 801 (-3.1A)
5XJ  A 801 ( 4.0A)
5XJ  A 801 (-3.4A)
5XJ  A 801 (-3.7A)
5XJ  A 801 (-3.7A)
 0.37A 5hesA-5fd2A:
10.2		 5hesA-5fd2A:
31.12
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.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 607
ALA A 625
ILE A 672
THR A 674
TYR A 676
CYH A 835
 748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-3.9A)
748  A1001 (-3.2A)
748  A1001 (-4.0A)
748  A1001 (-4.5A)
 0.72A 5hesA-5grnA:
9.7		 5hesA-5grnA:
28.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 VAL A  94
ALA A 105
ILE A 146
THR A 148
GLY A 121
 None
 0.64A 5hesA-5gz8A:
17.1		 5hesA-5gz8A:
24.56
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.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 VAL A  94
ALA A 105
ILE A 146
THR A 148
TYR A 150
 None
 0.26A 5hesA-5gz8A:
17.1		 5hesA-5gz8A:
24.56
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.
5hor HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A1092
ALA A1108
TYR A1159
PHE A1223
GLY A1224
 63K  A1401 (-4.9A)
63K  A1401 (-3.5A)
63K  A1401 (-3.5A)
None
None
 0.69A 5hesA-5horA:
11.1		 5hesA-5horA:
28.70
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  65
ALA A  77
ILE A 128
TYR A 132
CYH A 197
PHE A 199
 IDV  A 401 (-4.6A)
IDV  A 401 (-3.6A)
None
IDV  A 401 (-3.5A)
IDV  A 401 (-3.6A)
None
 0.93A 5hesA-5i3oA:
21.3		 5hesA-5i3oA:
23.56
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  35
ALA A  50
ILE A  79
TYR A  99
ALA A 100
GLY A 175
 6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 (-4.2A)
6A7  A 401 (-4.9A)
6A7  A 401 (-3.7A)
FMT  A 404 ( 4.3A)
 0.97A 5hesA-5idnA:
7.2		 5hesA-5idnA:
27.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kkr KINASE SUPPRESSOR OF
RAS 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL B 680
ALA B 690
ILE B 737
THR B 739
PHE B 804
 6U7  B1001 ( 4.3A)
6U7  B1001 (-3.6A)
6U7  B1001 ( 4.1A)
6U7  B1001 (-4.0A)
6U7  B1001 (-3.8A)
 0.70A 5hesA-5kkrB:
9.1		 5hesA-5kkrB:
28.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 647
ALA A 663
ILE A 695
ILE A 709
THR A 711
 None
6P6  A1001 (-3.3A)
None
6P6  A1001 ( 4.5A)
6P6  A1001 (-3.5A)
 0.48A 5hesA-5l6oA:
11.9		 5hesA-5l6oA:
30.42
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.
1c5d MONOCLONAL ANTIBODY
AGAINST THE MAIN
IMMUNOGENIC REGION
OF THE HUMAN MUSCLE
ACETYLCHOLINE
RECEPTOR

(Rattus
norvegicus) 		no annotation 4 PHE H 104
SER H  35
VAL H  34
ASP H  99
 None
 0.83A 5hesA-1c5dH:
undetectable		 5hesA-1c5dH:
24.21
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 PHE A 389
PHE A 184
VAL A  41
ASP A 188
 None
 1.12A 5hesA-1ck7A:
undetectable		 5hesA-1ck7A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eak 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 PHE A 389
PHE A 184
VAL A  41
ASP A 188
 None
 1.15A 5hesA-1eakA:
undetectable		 5hesA-1eakA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 LYS B 773
SER B 564
VAL B 563
ASP B 798
 None
 1.00A 5hesA-1ej6B:
undetectable		 5hesA-1ej6B:
12.60
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		4 PHE A 332
SER A 246
VAL A 103
ASP A 261
 None
 1.27A 5hesA-1jv1A:
undetectable		 5hesA-1jv1A:
22.05
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.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		4 PHE A 349
SER A 326
VAL A 329
ASP A 346
 None
 1.25A 5hesA-1khwA:
undetectable		 5hesA-1khwA:
20.68
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 PHE A 371
SER A 398
VAL A 423
ASP A 395
 None
 1.23A 5hesA-1kxhA:
undetectable		 5hesA-1kxhA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A 275
SER A 351
VAL A 348
ASP A 278
 None
 1.30A 5hesA-1loxA:
undetectable		 5hesA-1loxA:
18.91
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 PHE A 175
PHE A 134
SER A 165
VAL A 153
 None
 1.03A 5hesA-1nr0A:
undetectable		 5hesA-1nr0A:
18.77
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 LYS A 101
PHE A  98
VAL A   5
ASP A  51
 None
 1.18A 5hesA-1ny5A:
undetectable		 5hesA-1ny5A:
22.44
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 LYS X  39
SER X 161
VAL X 162
ASP X 167
 None
 1.11A 5hesA-1ogoX:
undetectable		 5hesA-1ogoX:
17.76
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.
1pvh INTERLEUKIN-6
RECEPTOR BETA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		4 PHE A 147
PHE A 136
VAL A 162
ASP A 149
 None
 1.23A 5hesA-1pvhA:
undetectable		 5hesA-1pvhA:
17.76
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 PHE A 525
SER A 303
VAL A 124
ASP A 557
 None
 1.25A 5hesA-1qo8A:
undetectable		 5hesA-1qo8A:
19.37
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		4 PHE A 241
PHE A 180
SER A 239
VAL A 238
 None
 1.24A 5hesA-1w18A:
undetectable		 5hesA-1w18A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 PHE A  91
PHE B  68
SER B  58
ASP B  65
 None
 1.07A 5hesA-1wytA:
undetectable		 5hesA-1wytA:
20.85
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 PHE A 340
SER A 316
VAL A 313
ASP A 298
 None
None
None
PLP  B 801 ( 4.7A)
 1.26A 5hesA-1xrsA:
undetectable		 5hesA-1xrsA:
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.
1xzz INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 PHE A  58
SER A 175
VAL A 176
ASP A  13
 None
 1.17A 5hesA-1xzzA:
undetectable		 5hesA-1xzzA:
20.49
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 PHE A 107
PHE A  47
SER A 105
VAL A  42
 None
 1.30A 5hesA-1z7mA:
undetectable		 5hesA-1z7mA:
22.99
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.
2cit ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF02156
(Glyco_hydro_26) 		4 LYS A 100
SER A  49
VAL A  51
ASP A  56
 None
 1.29A 5hesA-2citA:
undetectable		 5hesA-2citA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		4 PHE A 192
SER A 185
VAL A 210
ASP A 265
 None
 1.30A 5hesA-2dvmA:
undetectable		 5hesA-2dvmA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2euc HYPOTHETICAL PROTEIN
YFMB

(Bacillus
subtilis) 		PF11486
(DUF3212) 		4 PHE A  52
SER A  16
VAL A  15
ASP A  47
 None
 1.09A 5hesA-2eucA:
undetectable		 5hesA-2eucA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 PHE A 165
PHE A 190
SER A   7
ASP A 167
 None
 1.19A 5hesA-2fvgA:
undetectable		 5hesA-2fvgA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j63 AP-ENDONUCLEASE

(Leishmania
major) 		PF03372
(Exo_endo_phos) 		4 PHE A 330
PHE A 427
SER A 377
VAL A 378
 None
 1.20A 5hesA-2j63A:
undetectable		 5hesA-2j63A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m83 PROTEIN PHOSPHATASE
1 REGULATORY SUBUNIT
3A

(Oryctolagus
cuniculus) 		PF03370
(CBM_21) 		4 LYS A 157
PHE A 220
SER A 191
ASP A 188
 None
 1.09A 5hesA-2m83A:
undetectable		 5hesA-2m83A:
20.07
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.
2n7e DNA DAMAGE-INDUCIBLE
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A 138
SER A 120
VAL A 119
ASP A 127
 None
 1.09A 5hesA-2n7eA:
undetectable		 5hesA-2n7eA:
16.85
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.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		4 PHE A 410
PHE A 443
SER A 632
VAL A 635
 None
 1.20A 5hesA-2o0aA:
undetectable		 5hesA-2o0aA:
21.01
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.
2p4p HYPOTHETICAL PROTEIN
HD1797

([Haemophilus]
ducreyi) 		PF03471
(CorC_HlyC) 		4 PHE A  28
PHE A  54
VAL A  19
ASP A  58
 None
MLY  A  61 ( 3.7A)
CA  A 201 ( 4.2A)
MLY  A  59 ( 3.2A)
 1.17A 5hesA-2p4pA:
undetectable		 5hesA-2p4pA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 217
PHE A 247
SER A 272
ASP A 339
 None
 0.68A 5hesA-2qluA:
8.7		 5hesA-2qluA:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ve7 KINETOCHORE PROTEIN
HEC1, KINETOCHORE
PROTEIN SPC25

(Homo sapiens) 		PF03801
(Ndc80_HEC)
PF08234
(Spindle_Spc25) 		4 PHE A 129
SER A 113
VAL A 112
ASP A 124
 None
 1.29A 5hesA-2ve7A:
undetectable		 5hesA-2ve7A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7i STM4351

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		4 PHE A  66
PHE A  80
VAL A  86
ASP A  84
 None
None
None
ZN  A1247 (-2.2A)
 1.24A 5hesA-2y7iA:
undetectable		 5hesA-2y7iA:
22.43
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		4 PHE A 193
PHE A 125
VAL A 340
ASP A 112
 None
 1.23A 5hesA-3al0A:
undetectable		 5hesA-3al0A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 PHE A 269
PHE A 201
SER A 113
ASP A 107
 None
 1.12A 5hesA-3asaA:
undetectable		 5hesA-3asaA:
21.28
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 PHE A 431
SER A 324
VAL A 323
ASP A 423
 None
 1.24A 5hesA-3cvrA:
undetectable		 5hesA-3cvrA:
19.62
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.
3dzd TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 LYS A 102
PHE A  99
VAL A   6
ASP A  52
 None
 1.20A 5hesA-3dzdA:
undetectable		 5hesA-3dzdA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 PHE A 493
PHE A 326
VAL A 490
ASP A 308
 None
 1.26A 5hesA-3eb7A:
undetectable		 5hesA-3eb7A:
17.89
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 PHE A 137
SER A 165
VAL A 164
ASP A 101
 None
 1.29A 5hesA-3einA:
undetectable		 5hesA-3einA:
23.27
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 PHE A 978
SER A1300
VAL A1304
ASP A1104
 None
 1.17A 5hesA-3f2bA:
undetectable		 5hesA-3f2bA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6f CG18548-PA
(IP02196P)
(IP02193P)

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 PHE A 137
SER A 165
VAL A 164
ASP A 101
 None
 1.25A 5hesA-3f6fA:
undetectable		 5hesA-3f6fA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 PHE A 300
SER A 333
VAL A 355
ASP A 350
 None
 1.24A 5hesA-3fk4A:
undetectable		 5hesA-3fk4A:
21.90
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.
3g2f BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 230
PHE A 260
SER A 286
ASP A 351
 ADP  A 900 (-2.8A)
None
ADP  A 900 (-3.6A)
ADP  A 900 ( 2.7A)
 0.80A 5hesA-3g2fA:
8.7		 5hesA-3g2fA:
29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 PHE A 668
SER A 523
VAL A 526
ASP A 661
 None
 1.28A 5hesA-3hmjA:
undetectable		 5hesA-3hmjA:
10.33
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 PHE X 528
SER X 479
VAL X 613
ASP X 519
 None
 1.10A 5hesA-3jb9X:
undetectable		 5hesA-3jb9X:
13.18
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.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		4 LYS A  47
SER A  11
VAL A  10
ASP A  20
 None
GOL  A 255 (-2.8A)
None
None
 1.25A 5hesA-3kzvA:
undetectable		 5hesA-3kzvA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LYS A 311
PHE A 445
SER A 427
ASP A 439
 None
None
CL  A 454 ( 4.6A)
None
 0.93A 5hesA-3lk7A:
undetectable		 5hesA-3lk7A:
18.95
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		4 PHE X1320
PHE X1164
VAL X1307
ASP X1318
 None
 1.28A 5hesA-3lxuX:
undetectable		 5hesA-3lxuX:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS) 		4 LYS A 231
PHE A 261
SER A 286
ASP A 350
 None
None
None
LDN  A   1 (-3.9A)
 0.59A 5hesA-3mdyA:
24.6		 5hesA-3mdyA:
29.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 PHE A 134
SER A 139
VAL A 140
ASP A 131
 None
 1.25A 5hesA-3nixA:
undetectable		 5hesA-3nixA:
21.52
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		4 PHE A  50
SER A 124
VAL A 123
ASP A  46
 None
 1.15A 5hesA-3o90A:
undetectable		 5hesA-3o90A:
22.36
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.
3pd7 DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT) 		4 LYS A 915
SER A 960
VAL A 961
ASP A 953
 None
 1.26A 5hesA-3pd7A:
undetectable		 5hesA-3pd7A:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 LYS A 578
PHE A 611
SER A 632
ASP A 694
 STU  A   1 (-3.5A)
None
STU  A   1 ( 4.3A)
STU  A   1 (-3.5A)
 0.45A 5hesA-3ppzA:
10.3		 5hesA-3ppzA:
35.91
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 219
PHE A 249
SER A 274
ASP A 340
 TAK  A   2 (-2.9A)
None
None
None
 0.95A 5hesA-3q4tA:
8.6		 5hesA-3q4tA:
28.12
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 PHE A 275
SER A 351
VAL A 348
ASP A 278
 None
 1.30A 5hesA-3rdeA:
undetectable		 5hesA-3rdeA:
20.51
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.
3rmv GLYCOGENIN-1

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		4 LYS A 209
SER A 121
VAL A 138
ASP A 113
 None
 1.20A 5hesA-3rmvA:
undetectable		 5hesA-3rmvA:
21.89
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		4 PHE A 164
LYS A 157
VAL A  86
ASP A  12
 None
 1.23A 5hesA-3tr4A:
undetectable		 5hesA-3tr4A:
22.33
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.
3vr1 PEPTIDE CHAIN
RELEASE FACTOR 3

(Desulfovibrio
vulgaris) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF16658
(RF3_C) 		4 PHE A 315
PHE A 358
SER A  72
VAL A  73
 None
 1.29A 5hesA-3vr1A:
undetectable		 5hesA-3vr1A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 PHE A 270
SER A 288
VAL A 291
ASP A 336
 None
 1.28A 5hesA-3wflA:
undetectable		 5hesA-3wflA:
20.49
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 LYS A 549
SER A 574
VAL A 575
ASP A  75
 None
 1.22A 5hesA-3zifA:
undetectable		 5hesA-3zifA:
16.44
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 PHE A 190
SER A 142
VAL A 176
ASP A 162
 None
 1.25A 5hesA-3zppA:
undetectable		 5hesA-3zppA:
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 LYS A 235
PHE A 265
SER A 290
ASP A 354
 TAK  A1507 ( 4.5A)
None
None
TAK  A1507 (-3.5A)
 1.01A 5hesA-4c02A:
24.5		 5hesA-4c02A:
28.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 LYS A 169
PHE A 197
SER A 215
VAL A 216
 None
 1.03A 5hesA-4gcmA:
undetectable		 5hesA-4gcmA:
20.12
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 111
PHE A 145
SER A 166
ASP A 223
 1C7  A 401 ( 4.7A)
None
None
None
 0.83A 5hesA-4i6fA:
6.8		 5hesA-4i6fA:
25.44
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.
4id0 GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF

(Pseudomonas
fluorescens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 LYS A  14
SER A 108
VAL A 109
ASP A 102
 ACT  A 301 ( 4.7A)
None
None
None
 1.24A 5hesA-4id0A:
undetectable		 5hesA-4id0A:
21.45
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.
4igb LPXTG CELL WALL
SURFACE PROTEIN

(Streptococcus
gordonii) 		no annotation 4 PHE D 109
PHE D 173
SER D  69
VAL D  70
 None
 1.20A 5hesA-4igbD:
undetectable		 5hesA-4igbD:
21.50
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		4 PHE A 102
LYS A 457
SER A  85
ASP A 100
 None
 1.23A 5hesA-4j9uA:
undetectable		 5hesA-4j9uA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 PHE A  79
LYS A  96
VAL A  69
ASP A  60
 None
 1.29A 5hesA-4jjaA:
undetectable		 5hesA-4jjaA:
20.73
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 PHE A 201
SER A 153
VAL A 187
ASP A 173
 None
 1.24A 5hesA-4mr0A:
undetectable		 5hesA-4mr0A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		4 LYS A 233
PHE A 254
SER A 201
VAL A 203
 None
 1.24A 5hesA-4mynA:
undetectable		 5hesA-4mynA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		4 PHE B 457
PHE B 468
SER B 425
ASP B 502
 None
 1.25A 5hesA-4ni2B:
undetectable		 5hesA-4ni2B:
23.40
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.
4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Shewanella
benthica) 		PF00701
(DHDPS) 		4 PHE A 214
SER A 204
VAL A   7
ASP A  37
 None
 1.18A 5hesA-4pfmA:
undetectable		 5hesA-4pfmA:
21.51
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		4 PHE A 148
SER A 182
VAL A 181
ASP A 153
 None
 1.25A 5hesA-4rhmA:
undetectable		 5hesA-4rhmA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		4 LYS A 293
SER A 334
VAL A 335
ASP A 307
 None
 1.26A 5hesA-4u9cA:
undetectable		 5hesA-4u9cA:
21.92
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.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE

(Zophobas
atratus) 		PF00501
(AMP-binding) 		4 PHE A 333
SER A 348
VAL A 346
ASP A 343
 None
 1.17A 5hesA-4w8oA:
undetectable		 5hesA-4w8oA:
21.90
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.
4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 167
SER A 214
VAL A 260
ASP A 270
 499  A 401 (-2.8A)
499  A 401 (-3.7A)
499  A 401 (-4.6A)
499  A 401 (-3.7A)
 0.69A 5hesA-4y85A:
7.7		 5hesA-4y85A:
27.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 490
PHE A 524
SER A 546
ASP A 606
 4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-3.5A)
 0.81A 5hesA-4yffA:
8.4		 5hesA-4yffA:
31.53
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 PHE A 680
SER A 637
VAL A 636
ASP A 617
 None
 0.95A 5hesA-4zg7A:
undetectable		 5hesA-4zg7A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		4 PHE A  41
LYS A  82
PHE A  30
ASP A  38
 None
 1.28A 5hesA-5cyfA:
undetectable		 5hesA-5cyfA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 PHE A 608
SER A 617
VAL A 616
ASP A 579
 None
 1.29A 5hesA-5dkuA:
undetectable		 5hesA-5dkuA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		4 PHE A 292
PHE A 348
VAL A 304
ASP A 351
 None
 1.20A 5hesA-5dl7A:
undetectable		 5hesA-5dl7A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 PHE C 230
PHE C 240
SER C 228
VAL C 206
 None
 0.71A 5hesA-5dwzC:
undetectable		 5hesA-5dwzC:
20.92
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.
5esx PURINE/PYRIMIDINE
PHOSPHORIBOSYLTRANSF
ERASE

(Legionella
pneumophila) 		PF00156
(Pribosyltran) 		4 PHE A 151
SER A  20
VAL A  23
ASP A  28
 None
 1.09A 5hesA-5esxA:
undetectable		 5hesA-5esxA:
20.39
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.
5f8v AMINOTRANSFERASE,
CLASS V FAMILY
PROTEIN

(Trichomonas
vaginalis) 		PF00266
(Aminotran_5) 		4 PHE A 109
PHE A 167
SER A 124
VAL A 125
 None
 1.00A 5hesA-5f8vA:
undetectable		 5hesA-5f8vA:
24.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 483
PHE A 516
SER A 536
ASP A 594
 5XJ  A 801 (-3.8A)
None
None
None
 0.59A 5hesA-5fd2A:
10.2		 5hesA-5fd2A:
31.12
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.
5gt2 PROBABLE
DEFERROCHELATASE/PER
OXIDASE YFEX

(Escherichia
coli) 		PF04261
(Dyp_perox) 		4 LYS A 297
PHE A  60
VAL A 160
ASP A 166
 None
 1.24A 5hesA-5gt2A:
undetectable		 5hesA-5gt2A:
22.99
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE B 590
SER B 648
VAL B 647
ASP B 626
 None
 1.26A 5hesA-5gztB:
undetectable		 5hesA-5gztB:
14.27
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		4 PHE A 269
PHE A 444
VAL A 276
ASP A 370
 None
 1.25A 5hesA-5huuA:
undetectable		 5hesA-5huuA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7o NITROGEN
ASSIMILATION
REGULATORY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		4 LYS A 105
PHE A 102
VAL A   7
ASP A  53
 MG  A 501 (-3.6A)
None
None
MG  A 501 (-2.9A)
 1.02A 5hesA-5m7oA:
undetectable		 5hesA-5m7oA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 PHE A 417
SER A 289
VAL A 288
ASP A 549
 None
 1.30A 5hesA-5ot1A:
undetectable		 5hesA-5ot1A:
14.85
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		4 PHE A 323
SER A 231
VAL A 230
ASP A 178
 None
None
None
TLA  A 402 (-3.4A)
 1.27A 5hesA-5uibA:
undetectable		 5hesA-5uibA:
20.39
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT
3NT OXYGENASE BETA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 LYS A 312
PHE A 329
SER C  67
VAL C  84
 None
 1.20A 5hesA-5xbpA:
undetectable		 5hesA-5xbpA:
21.92
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 4 PHE A 466
PHE A 305
SER A 505
VAL A 504
 None
 1.23A 5hesA-5yemA:
undetectable		 5hesA-5yemA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvf -

(-) 		no annotation 4 PHE A 391
PHE A  65
SER A 269
VAL A 270
 None
 1.23A 5hesA-5yvfA:
undetectable		 5hesA-5yvfA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 LYS A  84
SER A 251
VAL A 252
ASP A  67
 None
 1.24A 5hesA-5ywpA:
undetectable		 5hesA-5ywpA:
15.03
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 4 PHE A 279
SER A 312
VAL A 313
ASP A 273
 None
 1.25A 5hesA-6cw5A:
undetectable		 5hesA-6cw5A:
16.99
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.
6dg4 ULP1-LIKE SUMO
PROTEASE

(Chaetomium
thermophilum) 		no annotation 4 LYS A 119
PHE A 175
VAL A 182
ASP A 179
 None
 1.22A 5hesA-6dg4A:
undetectable		 5hesA-6dg4A:
14.63
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 PHE A  46
SER A 470
VAL A 471
ASP A 606
 None
 1.29A 5hesA-6ek6A:
undetectable		 5hesA-6ek6A:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 LYS A 428
SER A  53
VAL A 303
ASP A 230
 None
 1.18A 5hesA-6etzA:
undetectable		 5hesA-6etzA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fdy -

(-) 		no annotation 4 LYS U  44
PHE U  80
VAL U  75
ASP U 157
 DB8  U 301 ( 4.0A)
None
DB8  U 301 (-4.8A)
DB8  U 301 (-3.6A)
 1.11A 5hesA-6fdyU:
6.5		 5hesA-6fdyU:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 PHE A 193
SER A 138
VAL A  40
ASP A  53
 None
 1.29A 5hesA-6fwfA:
undetectable		 5hesA-6fwfA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Mus musculus) 		no annotation 4 PHE K  41
PHE K   6
SER K  45
VAL K  46
 None
 1.26A 5hesA-6g2jK:
undetectable		 5hesA-6g2jK:
13.31