SIMILAR PATTERNS OF AMINO ACIDS FOR 3OCT_A_1N1A663

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 408
VAL A 416
LYS A 430
MET A 449
VAL A 458
GLY A 480
GLU A 488
LEU A 528
 None
 1.10A 3octA-1k2pA:
14.5		 3octA-1k2pA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 408
VAL A 416
LYS A 430
VAL A 458
TYR A 476
GLY A 480
GLU A 488
LEU A 528
 None
 0.93A 3octA-1k2pA:
14.5		 3octA-1k2pA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 VAL A 416
ALA A 428
LYS A 430
VAL A 458
THR A 474
TYR A 476
GLY A 480
GLU A 488
LEU A 528
 None
 0.86A 3octA-1k2pA:
14.5		 3octA-1k2pA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 416
LYS A 430
MET A 449
VAL A 458
THR A 474
GLY A 480
GLU A 488
LEU A 528
 None
 1.08A 3octA-1k2pA:
14.5		 3octA-1k2pA:
99.62
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		9 VAL A 209
ALA A 220
LYS A 222
MET A 240
VAL A 249
THR A 266
TYR A 268
GLY A 272
LEU A 321
 None
 0.59A 3octA-1k9aA:
32.3		 3octA-1k9aA:
27.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		8 VAL A 588
ALA A 606
LYS A 608
MET A 629
VAL A 638
TYR A 656
GLY A 660
LEU A 731
 None
 1.04A 3octA-1lufA:
31.6		 3octA-1lufA:
30.72
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		10 LEU A 267
VAL A 275
ALA A 288
LYS A 290
MET A 309
VAL A 318
THR A 334
GLY A 340
GLU A 348
LEU A 389
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.5A)
P16  A   2 (-3.3A)
P16  A   2 ( 4.7A)
P16  A   2 (-3.7A)
P16  A   2 (-3.4A)
None
P16  A   2 (-4.4A)
 1.12A 3octA-1opkA:
32.5		 3octA-1opkA:
28.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 616
VAL A 624
ALA A 642
LYS A 644
VAL A 675
TYR A 693
GLY A 697
LEU A 818
 None
 0.71A 3octA-1rjbA:
29.8		 3octA-1rjbA:
36.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 616
VAL A 624
LYS A 644
MET A 665
VAL A 675
TYR A 693
GLY A 697
LEU A 818
 None
 1.00A 3octA-1rjbA:
29.8		 3octA-1rjbA:
36.36
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  78
VAL A  86
ALA A  99
LYS A 101
VAL A 131
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.65A 3octA-1s9iA:
22.3		 3octA-1s9iA:
24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 377
ALA A 389
LYS A 391
MET A 410
VAL A 419
GLY A 441
LEU A 489
 None
 0.68A 3octA-1snxA:
14.9		 3octA-1snxA:
56.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 595
VAL A 603
ALA A 621
LYS A 623
VAL A 654
THR A 670
TYR A 672
GLY A 676
LEU A 799
 STI  A   3 ( 3.8A)
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-4.3A)
STI  A   3 (-3.2A)
STI  A   3 ( 4.0A)
STI  A   3 ( 3.8A)
STI  A   3 (-4.4A)
 0.70A 3octA-1t46A:
30.2		 3octA-1t46A:
34.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 344
VAL A 352
ALA A 367
MET A 390
VAL A 399
GLY A 420
LEU A 468
 STU  A 100 (-3.8A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
None
None
STU  A 100 (-3.5A)
STU  A 100 (-4.5A)
 0.67A 3octA-1u59A:
29.9		 3octA-1u59A:
37.32
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  15
VAL A  23
ALA A  36
LYS A  38
VAL A  68
TYR A  86
GLY A  90
LEU A 137
 HYM  A 400 (-4.2A)
HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
HYM  A 400 (-4.8A)
HYM  A 400 (-4.7A)
None
HYM  A 400 (-4.5A)
 0.59A 3octA-1zltA:
22.4		 3octA-1zltA:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU X  17
ALA X  37
LYS X  39
MET X  58
VAL X  67
THR X  82
TYR X  84
GLY X  88
LEU X 137
 STU  X 902 (-3.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
None
None
STU  X 902 (-4.1A)
STU  X 902 (-4.6A)
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
 0.59A 3octA-2dq7X:
31.8		 3octA-2dq7X:
38.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU X  17
VAL X  25
ALA X  37
LYS X  39
MET X  58
VAL X  67
THR X  82
GLY X  88
LEU X 137
 STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
None
None
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
 0.62A 3octA-2dq7X:
31.8		 3octA-2dq7X:
38.38
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		9 LEU A 273
VAL A 281
ALA A 293
LYS A 295
VAL A 323
THR A 338
TYR A 340
GLY A 344
LEU A 393
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
None
H8H  A 534 (-3.1A)
H8H  A 534 (-4.3A)
H8H  A 534 (-3.3A)
H8H  A 534 (-4.5A)
 0.52A 3octA-2h8hA:
29.9		 3octA-2h8hA:
22.20
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
VAL A 323
THR A 338
GLY A 344
LEU A 393
 QUE  A   1 (-3.9A)
QUE  A   1 ( 4.8A)
QUE  A   1 (-3.5A)
None
None
QUE  A   1 (-3.3A)
QUE  A   1 (-3.0A)
QUE  A   1 (-4.4A)
 0.74A 3octA-2hckA:
29.8		 3octA-2hckA:
26.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		10 LEU A 251
VAL A 259
ALA A 271
LYS A 273
MET A 292
VAL A 301
THR A 316
GLY A 322
GLU A 332
LEU A 371
 1BM  A 499 ( 3.7A)
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.8A)
1BM  A 499 ( 3.8A)
None
1BM  A 499 (-3.2A)
1BM  A 499 (-3.5A)
None
1BM  A 499 (-4.4A)
 1.07A 3octA-2hk5A:
31.8		 3octA-2hk5A:
40.44
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) 		10 LEU A 248
VAL A 256
ALA A 269
LYS A 271
MET A 290
VAL A 299
THR A 315
GLY A 321
GLU A 329
LEU A 370
 GIN  A 600 ( 4.6A)
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.2A)
GIN  A 600 (-4.6A)
GIN  A 600 (-3.4A)
None
None
GIN  A 600 (-4.7A)
 1.25A 3octA-2hz0A:
31.8		 3octA-2hz0A:
45.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 251
ALA A 271
LYS A 273
MET A 292
THR A 316
TYR A 318
GLY A 322
LEU A 371
 None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.7A)
1N8  A 501 ( 3.5A)
1N8  A 501 ( 4.3A)
 0.68A 3octA-2og8A:
31.0		 3octA-2og8A:
42.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 251
ALA A 271
LYS A 273
VAL A 301
THR A 316
TYR A 318
GLY A 322
LEU A 371
 None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
None
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.7A)
1N8  A 501 ( 3.5A)
1N8  A 501 ( 4.3A)
 0.73A 3octA-2og8A:
31.0		 3octA-2og8A:
42.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 251
VAL A 259
ALA A 271
LYS A 273
VAL A 301
THR A 316
TYR A 318
 None
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
None
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.7A)
 0.69A 3octA-2og8A:
31.0		 3octA-2og8A:
42.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 588
ALA A 614
LYS A 616
MET A 637
TYR A 665
GLY A 669
LEU A 785
 None
 0.61A 3octA-2ogvA:
15.2		 3octA-2ogvA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 588
ALA A 614
MET A 637
VAL A 647
THR A 663
TYR A 665
GLY A 669
LEU A 785
 None
 0.70A 3octA-2ogvA:
15.2		 3octA-2ogvA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 588
VAL A 596
ALA A 614
LYS A 616
MET A 637
GLY A 669
LEU A 785
 None
 0.68A 3octA-2ogvA:
15.2		 3octA-2ogvA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 588
VAL A 596
ALA A 614
MET A 637
VAL A 647
THR A 663
GLY A 669
LEU A 785
 None
 0.71A 3octA-2ogvA:
15.2		 3octA-2ogvA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 724
VAL A 732
ALA A 749
LYS A 751
VAL A 781
THR A 796
GLY A 802
LEU A 850
 GW7  A   1 ( 4.2A)
GW7  A   1 ( 4.8A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 ( 4.7A)
GW7  A   1 (-4.0A)
GW7  A   1 (-3.6A)
GW7  A   1 (-4.2A)
 0.79A 3octA-2r4bA:
29.0		 3octA-2r4bA:
34.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		8 VAL A 635
ALA A 651
LYS A 653
MET A 674
THR A 699
TYR A 701
GLY A 705
LEU A 753
 Q9G  A1898 ( 4.7A)
Q9G  A1898 (-3.2A)
Q9G  A1898 (-4.8A)
Q9G  A1898 (-3.9A)
Q9G  A1898 (-3.5A)
Q9G  A1898 (-4.8A)
Q9G  A1898 ( 3.8A)
Q9G  A1898 (-4.3A)
 0.75A 3octA-2xyuA:
14.0		 3octA-2xyuA:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		8 LEU A 253
VAL A 261
ALA A 273
LYS A 275
MET A 294
THR A 319
GLY A 325
GLU A 335
 None
 1.19A 3octA-2zv7A:
32.2		 3octA-2zv7A:
42.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		9 LEU A 253
VAL A 261
ALA A 273
LYS A 275
VAL A 303
THR A 319
GLY A 325
GLU A 335
LEU A 374
 None
 0.81A 3octA-2zv7A:
32.2		 3octA-2zv7A:
42.28
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) 		8 LEU A 487
VAL A 495
ALA A 515
LYS A 517
MET A 538
TYR A 566
GLY A 570
LEU A 633
 M33  A1996 (-4.0A)
M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
M33  A1996 ( 4.5A)
None
M33  A1996 ( 4.7A)
M33  A1996 ( 4.8A)
M33  A1996 (-4.5A)
 0.79A 3octA-3b2tA:
12.9		 3octA-3b2tA:
36.39
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) 		9 VAL A 209
ALA A 220
LYS A 222
MET A 240
VAL A 249
THR A 266
TYR A 268
GLY A 272
LEU A 321
 None
 0.59A 3octA-3d7uA:
33.3		 3octA-3d7uA:
43.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 833
VAL A 841
ALA A 859
LYS A 861
VAL A 892
TYR A 911
GLY A 915
LEU A1029
 8ST  A2001 ( 4.7A)
8ST  A2001 ( 4.6A)
8ST  A2001 ( 3.8A)
8ST  A2001 (-4.0A)
8ST  A2001 ( 4.7A)
8ST  A2001 (-4.9A)
None
None
 0.66A 3octA-3hngA:
29.6		 3octA-3hngA:
32.24
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.
3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		8 VAL A  67
ALA A  80
LYS A  82
MET A 104
VAL A 113
TYR A 131
GLY A 135
LEU A 182
 None
 0.79A 3octA-3iecA:
23.0		 3octA-3iecA:
25.23
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.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 696
VAL A 704
LYS A 723
VAL A 753
THR A 768
TYR A 770
GLY A 774
LEU A 822
 ANP  A   1 (-4.4A)
ANP  A   1 (-3.9A)
ANP  A   1 (-3.4A)
None
ANP  A   1 ( 4.8A)
ANP  A   1 (-4.3A)
ANP  A   1 ( 4.9A)
ANP  A   1 (-4.7A)
 0.54A 3octA-3kexA:
27.2		 3octA-3kexA:
28.66
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 ALA A 665
LYS A 667
MET A 688
THR A 713
TYR A 715
GLY A 719
LEU A 767
 None
None
None
None
GOL  A 403 (-4.1A)
GOL  A 403 (-3.4A)
None
 0.66A 3octA-3kulA:
32.8		 3octA-3kulA:
40.58
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.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS) 		7 VAL A 218
ALA A 229
LYS A 231
THR A 279
TYR A 281
GLY A 285
LEU A 339
 LDN  A   1 ( 4.8A)
LDN  A   1 (-3.6A)
None
LDN  A   1 (-3.8A)
LDN  A   1 ( 4.8A)
LDN  A   1 (-3.3A)
LDN  A   1 (-4.5A)
 0.57A 3octA-3mdyA:
25.7		 3octA-3mdyA:
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  49
VAL A  57
ALA A  70
LYS A  72
TYR A 122
GLY A 126
LEU A 173
 XFE  A 351 (-4.2A)
XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
None
None
None
XFE  A 351 (-4.6A)
 0.71A 3octA-3mvjA:
7.5		 3octA-3mvjA:
24.16
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.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 216
ALA A 227
LYS A 229
THR A 277
TYR A 279
GLY A 283
LEU A 337
 LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
LDN  A 600 (-4.0A)
LDN  A 600 (-4.0A)
LDN  A 600 (-4.7A)
LDN  A 600 (-3.3A)
LDN  A 600 (-4.6A)
 0.59A 3octA-3my0A:
25.4		 3octA-3my0A:
27.73
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  88
VAL A  96
ALA A 109
LYS A 111
MET A 134
TYR A 161
GLY A 165
LEU A 212
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-2.8A)
None
None
None
None
 0.67A 3octA-3nuuA:
8.5		 3octA-3nuuA:
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 LEU A 192
VAL A 200
ALA A 213
LYS A 215
VAL A 247
GLY A 269
LEU A 318
 AMP  A 577 ( 4.3A)
AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 (-2.8A)
None
None
AMP  A 577 (-4.8A)
 0.67A 3octA-3nyoA:
21.8		 3octA-3nyoA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 726
VAL A 734
ALA A 751
LYS A 753
THR A 798
GLY A 804
LEU A 852
 03Q  A   1 (-3.8A)
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
03Q  A   1 ( 3.9A)
03Q  A   1 (-4.4A)
 0.62A 3octA-3pp0A:
29.6		 3octA-3pp0A:
32.29
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) 		9 VAL A 565
ALA A 576
LYS A 578
MET A 600
VAL A 609
THR A 625
TYR A 627
GLY A 631
LEU A 683
 STU  A   1 (-4.9A)
STU  A   1 (-3.3A)
STU  A   1 (-3.5A)
None
None
STU  A   1 (-4.1A)
STU  A   1 (-4.4A)
STU  A   1 (-3.2A)
STU  A   1 (-4.3A)
 0.55A 3octA-3ppzA:
29.6		 3octA-3ppzA:
32.16
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) 		8 LEU A 423
ALA A 443
LYS A 445
VAL A 473
THR A 489
TYR A 491
GLY A 495
LEU A 543
 PP2  A   1 (-4.1A)
PP2  A   1 (-3.2A)
PP2  A   1 (-4.5A)
None
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.9A)
PP2  A   1 ( 4.2A)
PP2  A   1 (-4.6A)
 0.64A 3octA-3sxsA:
34.6		 3octA-3sxsA:
65.92
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) 		7 LEU A 423
ALA A 443
LYS A 445
VAL A 473
THR A 489
TYR A 491
SER A 553
 PP2  A   1 (-4.1A)
PP2  A   1 (-3.2A)
PP2  A   1 (-4.5A)
None
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.9A)
PP2  A   1 (-3.5A)
 0.69A 3octA-3sxsA:
34.6		 3octA-3sxsA:
65.92
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) 		9 LEU A 423
VAL A 431
ALA A 443
MET A 464
VAL A 473
THR A 489
TYR A 491
GLY A 495
LEU A 543
 PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 ( 4.3A)
None
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.9A)
PP2  A   1 ( 4.2A)
PP2  A   1 (-4.6A)
 0.64A 3octA-3sxsA:
34.6		 3octA-3sxsA:
65.92
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) 		8 LEU A 423
VAL A 431
ALA A 443
MET A 464
VAL A 473
THR A 489
TYR A 491
SER A 553
 PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 ( 4.3A)
None
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.9A)
PP2  A   1 (-3.5A)
 0.75A 3octA-3sxsA:
34.6		 3octA-3sxsA:
65.92
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 484
VAL A 492
ALA A 512
LYS A 514
MET A 535
TYR A 563
GLY A 567
LEU A 630
 07J  A   1 ( 4.3A)
07J  A   1 (-4.0A)
07J  A   1 (-3.5A)
07J  A   1 (-4.5A)
07J  A   1 (-3.8A)
07J  A   1 (-4.7A)
07J  A   1 (-3.7A)
07J  A   1 ( 4.4A)
 0.78A 3octA-3tt0A:
29.8		 3octA-3tt0A:
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.
3w18 AURORA KINASE A

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
 N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
 0.69A 3octA-3w18A:
22.5		 3octA-3w18A:
25.35
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  75
VAL A  83
ALA A  96
LYS A  98
VAL A 128
GLY A 150
LEU A 198
 ANP  A 401 (-3.8A)
ANP  A 401 ( 4.3A)
ANP  A 401 (-3.2A)
ANP  A 401 (-2.7A)
CHU  A 403 (-4.2A)
ANP  A 401 ( 4.3A)
ANP  A 401 (-4.8A)
 0.65A 3octA-3wigA:
22.9		 3octA-3wigA:
27.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 840
VAL A 848
ALA A 866
LYS A 868
VAL A 899
GLY A 922
LEU A1035
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
None
None
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
 0.66A 3octA-3wzdA:
31.0		 3octA-3wzdA:
34.42
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		7 VAL A 222
ALA A 233
LYS A 235
THR A 283
TYR A 285
GLY A 289
LEU A 343
 TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
TAK  A1507 (-3.6A)
TAK  A1507 ( 4.6A)
TAK  A1507 (-3.5A)
TAK  A1507 (-4.7A)
 0.54A 3octA-4c02A:
25.4		 3octA-4c02A:
27.81
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		7 LEU A 246
VAL A 254
ALA A 267
LYS A 269
TYR A 320
GLY A 324
LEU A 371
 None
 0.64A 3octA-4c0tA:
21.3		 3octA-4c0tA:
13.77
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 LEU A 663
VAL A 671
ALA A 684
LYS A 686
VAL A 721
TYR A 739
GLY A 743
LEU A 789
 AGS  A1985 (-4.2A)
AGS  A1985 (-4.6A)
AGS  A1985 (-3.5A)
AGS  A1985 (-3.0A)
None
None
None
AGS  A1985 (-4.8A)
 0.69A 3octA-4crsA:
8.6		 3octA-4crsA:
26.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f4p TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 377
VAL A 385
ALA A 400
LYS A 402
VAL A 433
GLY A 454
LEU A 501
 0SB  A 701 ( 3.9A)
0SB  A 701 (-4.0A)
0SB  A 701 (-3.3A)
0SB  A 701 ( 4.8A)
None
0SB  A 701 (-3.5A)
0SB  A 701 (-4.4A)
 0.56A 3octA-4f4pA:
29.5		 3octA-4f4pA:
38.13
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		7 LEU A 377
VAL A 385
ALA A 400
LYS A 402
VAL A 433
GLY A 454
LEU A 501
 ANP  A 701 ( 4.6A)
ANP  A 701 (-4.1A)
ANP  A 701 (-3.3A)
ANP  A 701 (-2.7A)
ANP  A 701 (-4.8A)
ANP  A 701 ( 4.2A)
ANP  A 701 (-4.5A)
 0.63A 3octA-4fl3A:
28.5		 3octA-4fl3A:
18.81
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.
4hvi TYROSINE-PROTEIN
KINASE JAK3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 828
VAL A 836
ALA A 853
LYS A 855
VAL A 884
TYR A 904
GLY A 908
LEU A 956
 19S  A1201 (-3.9A)
19S  A1201 (-4.4A)
19S  A1201 (-3.3A)
19S  A1201 (-3.5A)
None
19S  A1201 (-4.7A)
19S  A1201 ( 3.8A)
19S  A1201 (-4.5A)
 0.63A 3octA-4hviA:
29.5		 3octA-4hviA:
29.21
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 LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
LEU A 259
 None
 0.60A 3octA-4hzsA:
27.4		 3octA-4hzsA:
32.75
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 LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
LEU A 259
 1G0  A 401 ( 4.5A)
1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-3.2A)
1G0  A 401 ( 4.5A)
1G0  A 401 (-4.6A)
 0.61A 3octA-4id7A:
30.6		 3octA-4id7A:
38.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
VAL A 323
TYR A 340
GLY A 344
LEU A 393
 0J9  A 601 (-4.0A)
0J9  A 601 (-4.4A)
0J9  A 601 (-3.3A)
0J9  A 601 ( 4.7A)
None
0J9  A 601 ( 4.7A)
0J9  A 601 ( 4.1A)
0J9  A 601 (-4.5A)
 0.60A 3octA-4k11A:
29.5		 3octA-4k11A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 478
VAL A 486
ALA A 506
LYS A 508
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.68A 3octA-4k33A:
31.7		 3octA-4k33A:
35.78
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.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  33
VAL A  41
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
 GOL  A 404 ( 3.6A)
GOL  A 404 (-4.5A)
GOL  A 404 ( 3.1A)
GOL  A 403 ( 4.6A)
GOL  A 403 (-4.1A)
GOL  A 404 ( 4.9A)
GOL  A 404 (-3.6A)
 0.57A 3octA-4lg4A:
8.7		 3octA-4lg4A:
27.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
MET A 314
TYR A 340
GLY A 344
LEU A 393
 VGG  A 601 (-3.2A)
VGG  A 601 ( 3.5A)
VGG  A 601 (-3.5A)
VGG  A 601 (-3.8A)
VGG  A 601 ( 3.6A)
VGG  A 601 ( 4.0A)
VGG  A 601 ( 3.2A)
VGG  A 601 (-4.5A)
 0.89A 3octA-4lggA:
29.2		 3octA-4lggA:
38.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
VAL A 323
TYR A 340
GLY A 344
LEU A 393
 VGG  A 601 (-3.2A)
VGG  A 601 ( 3.5A)
VGG  A 601 (-3.5A)
VGG  A 601 (-3.8A)
VGG  A 601 ( 4.8A)
VGG  A 601 ( 4.0A)
VGG  A 601 ( 3.2A)
VGG  A 601 (-4.5A)
 0.67A 3octA-4lggA:
29.2		 3octA-4lggA:
38.85
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  46
VAL A  54
ALA A  67
LYS A  69
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.71A 3octA-4o38A:
20.6		 3octA-4o38A:
25.75
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 595
VAL A 603
LYS A 642
THR A 687
TYR A 689
GLY A 693
LEU A 741
 2TT  A1201 (-4.1A)
2TT  A1201 (-4.2A)
2TT  A1201 ( 4.6A)
None
2TT  A1201 (-4.0A)
2TT  A1201 (-3.5A)
2TT  A1201 (-4.1A)
 0.71A 3octA-4oliA:
26.3		 3octA-4oliA:
17.67
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 LEU A 627
VAL A 635
ALA A 648
VAL A 685
TYR A 703
GLY A 707
LEU A 753
 None
 0.55A 3octA-4otdA:
22.0		 3octA-4otdA:
26.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 616
VAL A 624
ALA A 642
LYS A 644
VAL A 675
TYR A 693
GLY A 697
LEU A 818
 P30  A1001 (-3.8A)
None
P30  A1001 (-3.4A)
P30  A1001 (-3.4A)
None
P30  A1001 (-4.1A)
P30  A1001 (-3.4A)
P30  A1001 (-4.6A)
 0.52A 3octA-4rt7A:
31.2		 3octA-4rt7A:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 616
VAL A 624
LYS A 644
MET A 665
VAL A 675
TYR A 693
GLY A 697
LEU A 818
 P30  A1001 (-3.8A)
None
P30  A1001 (-3.4A)
P30  A1001 ( 3.7A)
None
P30  A1001 (-4.1A)
P30  A1001 (-3.4A)
P30  A1001 (-4.6A)
 0.86A 3octA-4rt7A:
31.2		 3octA-4rt7A:
32.00
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) 		9 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.86A 3octA-4ueuA:
32.4		 3octA-4ueuA:
50.19
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) 		9 LEU A  14
VAL A  22
ALA A  35
LYS A  37
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.52A 3octA-4ueuA:
32.4		 3octA-4ueuA:
50.19
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		7 LEU A 104
VAL A 112
ALA A 125
LYS A 127
TYR A 177
GLY A 181
LEU A 228
 ATP  A 501 ( 4.3A)
ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-2.6A)
None
None
ATP  A 501 (-4.5A)
 0.68A 3octA-4wb7A:
7.6		 3octA-4wb7A:
23.63
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		7 LEU A 104
VAL A 112
ALA A 125
LYS A 127
VAL A 159
TYR A 177
LEU A 228
 ATP  A 501 ( 4.3A)
ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-2.6A)
None
None
ATP  A 501 (-4.5A)
 0.73A 3octA-4wb7A:
7.6		 3octA-4wb7A:
23.63
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 LEU A 193
VAL A 201
ALA A 214
LYS A 216
VAL A 248
GLY A 270
LEU A 321
 ANW  A 601 ( 4.0A)
None
ANW  A 601 (-3.4A)
None
None
ANW  A 601 ( 4.5A)
ANW  A 601 (-4.9A)
 0.73A 3octA-4wboA:
7.9		 3octA-4wboA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  52
VAL A  60
ALA A  72
MET A  94
VAL A 104
GLY A 132
LEU A 183
 KSA  A 405 ( 4.0A)
KSA  A 405 ( 4.9A)
KSA  A 405 (-3.2A)
None
None
KSA  A 405 (-3.5A)
KSA  A 405 (-4.6A)
 0.61A 3octA-4wsqA:
23.3		 3octA-4wsqA:
25.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 9 LEU B 267
VAL B 275
ALA B 288
LYS B 290
MET B 309
VAL B 318
THR B 334
GLY B 340
LEU B 389
 1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-3.7A)
1N1  B 601 ( 4.3A)
1N1  B 601 (-3.3A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.3A)
 0.51A 3octA-4xeyB:
13.6		 3octA-4xeyB:
33.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 9 LEU B 267
VAL B 275
ALA B 288
MET B 309
VAL B 318
THR B 334
GLY B 340
GLU B 348
LEU B 389
 1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-3.7A)
1N1  B 601 ( 4.3A)
1N1  B 601 (-3.3A)
1N1  B 601 (-3.5A)
None
1N1  B 601 (-4.3A)
 1.11A 3octA-4xeyB:
13.6		 3octA-4xeyB:
33.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 408
VAL A 416
ALA A 428
VAL A 458
THR A 474
TYR A 476
GLY A 480
LEU A 528
 None
 0.87A 3octA-4xi2A:
14.5		 3octA-4xi2A:
97.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 616
VAL A 624
ALA A 642
LYS A 644
VAL A 675
TYR A 693
GLY A 697
LEU A 818
 P30  A1001 (-4.0A)
P30  A1001 ( 4.8A)
P30  A1001 (-3.5A)
P30  A1001 ( 4.0A)
None
P30  A1001 ( 4.4A)
P30  A1001 (-3.5A)
P30  A1001 (-4.3A)
 0.71A 3octA-4xufA:
30.1		 3octA-4xufA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		10 LEU A 408
VAL A 416
ALA A 428
LYS A 430
VAL A 458
THR A 474
TYR A 476
GLY A 480
GLU A 488
LEU A 528
 746  A 702 (-3.8A)
746  A 702 ( 4.3A)
746  A 702 (-2.4A)
746  A 702 (-3.7A)
None
746  A 702 (-3.7A)
746  A 702 (-4.4A)
746  A 702 (-3.6A)
CA  A 703 ( 4.5A)
746  A 702 (-4.4A)
 0.97A 3octA-4y93A:
33.6		 3octA-4y93A:
57.66
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) 		8 LEU A 484
VAL A 492
ALA A 512
LYS A 514
MET A 535
TYR A 563
GLY A 567
LEU A 630
 38O  A1769 (-3.2A)
38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.1A)
EDO  A1766 (-3.5A)
38O  A1769 (-4.2A)
38O  A1769 (-3.4A)
38O  A1769 (-4.6A)
 0.59A 3octA-5a46A:
30.0		 3octA-5a46A:
30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 903
VAL A 911
ALA A 928
LYS A 930
TYR A 980
GLY A 984
LEU A1030
 5U3  A1200 (-3.8A)
5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
None
5U3  A1200 (-4.5A)
5U3  A1200 (-3.2A)
5U3  A1200 (-4.4A)
 0.48A 3octA-5f1zA:
28.2		 3octA-5f1zA:
32.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 730
VAL A 738
ALA A 756
LYS A 758
TYR A 806
GLY A 810
LEU A 881
 PP1  A2012 (-4.6A)
PP1  A2012 (-4.4A)
PP1  A2012 (-3.2A)
PP1  A2012 (-4.1A)
None
PTR  A 809 (-2.4A)
PP1  A2012 (-4.6A)
 0.61A 3octA-5fm2A:
31.4		 3octA-5fm2A:
31.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		10 LEU A 599
VAL A 607
ALA A 625
LYS A 627
MET A 648
VAL A 658
THR A 674
TYR A 676
GLY A 680
LEU A 825
 748  A1001 (-3.8A)
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.4A)
748  A1001 ( 4.8A)
748  A1001 (-3.2A)
748  A1001 (-4.0A)
748  A1001 ( 4.0A)
748  A1001 (-4.3A)
 0.65A 3octA-5grnA:
13.0		 3octA-5grnA:
33.61
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.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 VAL A  94
ALA A 105
VAL A 134
THR A 148
TYR A 150
GLY A 154
LEU A 215
 None
 0.58A 3octA-5gz8A:
20.4		 3octA-5gz8A:
24.15
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.
5gza PROTEIN O-MANNOSE
KINASE

(Danio rerio) 		PF07714
(Pkinase_Tyr) 		7 VAL A  93
ALA A 104
VAL A 133
THR A 147
TYR A 149
GLY A 153
LEU A 214
 ADP  A 401 (-4.4A)
ADP  A 401 (-3.2A)
None
ADP  A 401 ( 4.8A)
ADP  A 401 ( 4.8A)
ADP  A 401 ( 4.1A)
ADP  A 401 (-4.4A)
 0.57A 3octA-5gzaA:
19.5		 3octA-5gzaA:
25.81
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  57
VAL A  65
ALA A  77
LYS A  79
VAL A 109
GLY A 136
LEU A 187
 IDV  A 401 (-3.8A)
IDV  A 401 (-4.6A)
IDV  A 401 (-3.6A)
IDV  A 401 ( 4.8A)
None
IDV  A 401 (-3.4A)
IDV  A 401 (-4.4A)
 0.71A 3octA-5i3oA:
23.6		 3octA-5i3oA:
25.32
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  57
VAL A  65
ALA A  77
MET A  99
TYR A 132
GLY A 136
LEU A 187
 IDV  A 401 (-3.8A)
IDV  A 401 (-4.6A)
IDV  A 401 (-3.6A)
None
IDV  A 401 (-3.5A)
IDV  A 401 (-3.4A)
IDV  A 401 (-4.4A)
 0.63A 3octA-5i3oA:
23.6		 3octA-5i3oA:
25.32
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  57
VAL A  65
ALA A  77
VAL A 109
TYR A 132
GLY A 136
LEU A 187
 IDV  A 401 (-3.8A)
IDV  A 401 (-4.6A)
IDV  A 401 (-3.6A)
None
IDV  A 401 (-3.5A)
IDV  A 401 (-3.4A)
IDV  A 401 (-4.4A)
 0.62A 3octA-5i3oA:
23.6		 3octA-5i3oA:
25.32
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  30
ALA A  43
LYS A  45
MET A  65
VAL A  74
GLY A  96
LEU A 143
 6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
6G2  A 901 ( 3.9A)
None
None
6G2  A 901 (-3.6A)
6G2  A 901 (-4.7A)
 0.71A 3octA-5j5tA:
22.3		 3octA-5j5tA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 284
ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
 IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
 0.70A 3octA-5kbrA:
9.4		 3octA-5kbrA:
26.30
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.
5u7q RHO-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 106
ALA A 119
LYS A 121
VAL A 153
TYR A 171
GLY A 175
LEU A 221
 None
 0.63A 3octA-5u7qA:
3.2		 3octA-5u7qA:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		no annotation 8 LEU A  24
ALA A  45
LYS A  47
THR A  95
TYR A  97
GLY A 101
GLU A 112
LEU A 153
 9WS  A 401 ( 4.2A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
None
9WS  A 401 ( 4.3A)
None
9WS  A 401 (-4.6A)
 0.84A 3octA-5w5jA:
24.3		 3octA-5w5jA:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		no annotation 8 LEU A  24
VAL A  32
ALA A  45
THR A  95
TYR A  97
GLY A 101
GLU A 112
LEU A 153
 9WS  A 401 ( 4.2A)
9WS  A 401 ( 4.6A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
None
9WS  A 401 ( 4.3A)
None
9WS  A 401 (-4.6A)
 0.75A 3octA-5w5jA:
24.3		 3octA-5w5jA:
30.19
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 8 LEU A 891
VAL A 899
ALA A 917
LYS A 919
THR A 963
TYR A 965
GLY A 969
LEU A1017
 ANP  A1201 (-4.1A)
ANP  A1201 (-4.4A)
ANP  A1201 (-3.3A)
ANP  A1201 (-3.8A)
ANP  A1201 (-3.9A)
ANP  A1201 (-4.4A)
ANP  A1201 ( 4.6A)
ANP  A1201 (-4.7A)
 0.67A 3octA-5wnoA:
27.9		 3octA-5wnoA:
13.62
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.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 7 VAL A  83
ALA A  95
LYS A  97
VAL A 125
TYR A 143
GLY A 147
LEU A 206
 ANP  A1000 (-4.1A)
ANP  A1000 (-3.2A)
ANP  A1000 (-2.8A)
None
ANP  A1000 (-4.3A)
None
ANP  A1000 (-4.5A)
 0.61A 3octA-5xd6A:
6.7		 3octA-5xd6A:
14.18
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.
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		no annotation 8 LEU A  33
VAL A  41
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
 ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
 0.70A 3octA-6ao5A:
22.8		 3octA-6ao5A:
24.59
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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 7 LEU A 881
VAL A 889
ALA A 906
LYS A 908
VAL A 938
GLY A 962
LEU A1010
 ADP  A1201 ( 4.5A)
ADP  A1201 (-4.3A)
ADP  A1201 (-3.4A)
ADP  A1201 (-2.8A)
None
ADP  A1201 ( 4.1A)
ADP  A1201 (-4.5A)
 0.54A 3octA-6c7yA:
9.8		 3octA-6c7yA:
16.04
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.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4

(Homo sapiens) 		no annotation 7 VAL A 200
ALA A 211
LYS A 213
VAL A 246
TYR A 264
GLY A 268
LEU A 318
 CJT  A 502 ( 4.8A)
CJT  A 502 (-3.4A)
CJT  A 502 (-3.0A)
None
CJT  A 502 (-4.5A)
CJT  A 502 ( 4.3A)
CJT  A 502 (-4.7A)
 0.69A 3octA-6f3dA:
23.8		 3octA-6f3dA:
13.88
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.
1c39 CATION-DEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Bos taurus) 		PF02157
(Man-6-P_recep) 		4 ILE A  95
MET A 147
ASN A 127
PHE A  86
 None
 1.28A 3octA-1c39A:
undetectable		 3octA-1c39A:
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.
1d7b CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF16010
(CDH-cyt) 		4 PHE A 166
ILE A  57
MET A  65
PHE A 145
 HEM  A 401 (-3.8A)
None
HEM  A 401 (-2.3A)
None
 1.29A 3octA-1d7bA:
0.0		 3octA-1d7bA:
19.32
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 PHE C 133
MET C 372
ASN C 373
PHE C 191
 None
 1.27A 3octA-1ea9C:
0.0		 3octA-1ea9C:
17.12
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.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1)
PF00510
(COX3) 		4 PHE A 208
ILE C  31
ASN A 143
PHE A 209
 None
 1.31A 3octA-1fftA:
1.6		 3octA-1fftA:
16.77
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.
1jjo NEUROSERPIN

(Mus musculus) 		PF00079
(Serpin) 		4 PHE E 384
ILE C 297
ASN C 166
PHE A  52
 None
 1.24A 3octA-1jjoE:
undetectable		 3octA-1jjoE:
9.43
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.
1klq MITOTIC SPINDLE
ASSEMBLY CHECKPOINT
PROTEIN MAD2A

(Homo sapiens) 		PF02301
(HORMA) 		4 PHE A  26
ILE A  21
ASN A  69
PHE A  25
 None
 0.99A 3octA-1klqA:
0.0		 3octA-1klqA:
24.03
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.
1mo0 TRIOSEPHOSPHATE
ISOMERASE

(Caenorhabditis
elegans) 		PF00121
(TIM) 		4 PHE A   6
ILE A 225
ASN A 158
PHE A 228
 None
 1.08A 3octA-1mo0A:
0.0		 3octA-1mo0A:
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.
1npu PROGRAMMED CELL
DEATH PROTEIN 1

(Mus musculus) 		PF07686
(V-set) 		4 PHE A  49
ILE A  93
MET A  75
ASN A  76
 None
 1.30A 3octA-1npuA:
0.0		 3octA-1npuA:
18.60
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 PHE A  78
ILE A 155
MET A 221
PHE A 163
 None
 1.31A 3octA-1ofeA:
undetectable		 3octA-1ofeA:
11.08
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		4 ILE A 201
MET A 409
ASN A 411
PHE A 245
 None
 1.38A 3octA-1q47A:
undetectable		 3octA-1q47A:
19.64
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 PHE A 285
ILE A  47
ASN A 233
PHE A 225
 None
 1.35A 3octA-1zwxA:
undetectable		 3octA-1zwxA:
21.27
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		4 PHE A 364
ILE A 256
ASN A 455
PHE A 324
 None
 1.18A 3octA-1zy9A:
undetectable		 3octA-1zy9A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 ILE A  61
MET A 263
ASN A 154
PHE A  57
 None
 1.12A 3octA-2b4vA:
undetectable		 3octA-2b4vA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 PHE A 218
MET A 284
ASN A 256
PHE A 217
 None
 1.32A 3octA-2bfeA:
undetectable		 3octA-2bfeA:
19.56
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.
2cb4 MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		no annotation 4 PHE A 107
ILE A 230
ASN A 252
PHE A 229
 None
 1.40A 3octA-2cb4A:
undetectable		 3octA-2cb4A:
20.13
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		4 PHE A 270
ILE A 278
ASN A 327
PHE A 192
 NAD  A2503 ( 4.7A)
None
None
None
 1.17A 3octA-2dvmA:
undetectable		 3octA-2dvmA:
20.19
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.
2e1b 216AA LONG
HYPOTHETICAL
ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ILE A  36
MET A   4
ASN A   3
PHE A  37
 None
 1.25A 3octA-2e1bA:
undetectable		 3octA-2e1bA:
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.
2fwu SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 PHE A 505
ILE A 571
ASN A 564
PHE A 507
 None
 1.39A 3octA-2fwuA:
undetectable		 3octA-2fwuA:
23.60
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 PHE A 201
ILE A 313
ASN A 363
PHE A 311
 BNL  A 457 ( 4.2A)
None
None
None
 1.36A 3octA-2gbxA:
undetectable		 3octA-2gbxA:
19.47
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 PHE A 274
ILE A 329
MET A 235
ASN A 233
 None
 1.35A 3octA-2gepA:
undetectable		 3octA-2gepA:
20.94
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.
2gzq PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN

(Plasmodium
vivax) 		PF01161
(PBP) 		4 PHE A  74
ILE A  59
ASN A 143
PHE A 134
 None
 1.10A 3octA-2gzqA:
undetectable		 3octA-2gzqA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		4 PHE A 255
ILE A 300
ASN A 262
PHE A 254
 None
 1.34A 3octA-2haeA:
undetectable		 3octA-2haeA:
21.87
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.
2i54 PHOSPHOMANNOMUTASE

(Leishmania
mexicana) 		PF03332
(PMM) 		4 PHE A  67
ILE A  59
ASN A  84
PHE A  63
 None
 1.38A 3octA-2i54A:
undetectable		 3octA-2i54A:
23.84
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 PHE A 107
ILE A  90
ASN A 441
PHE A 156
 None
 1.23A 3octA-2iluA:
undetectable		 3octA-2iluA:
19.61
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		4 ILE A  74
MET A 195
ASN A 196
PHE A  76
 None
 1.36A 3octA-2jaqA:
undetectable		 3octA-2jaqA:
20.45
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.
2k7b CALCIUM-BINDING
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A  31
ILE A  24
MET A  51
ASN A  49
 None
 1.16A 3octA-2k7bA:
undetectable		 3octA-2k7bA:
13.79
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.
2kna BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		no annotation 4 PHE A  39
ILE A  25
ASN A  71
PHE A  41
 None
 1.24A 3octA-2knaA:
undetectable		 3octA-2knaA:
18.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE A 383
ILE A 314
MET A 319
ASN A 321
 1N8  A 501 ( 4.3A)
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
 0.87A 3octA-2og8A:
31.0		 3octA-2og8A:
42.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oz6 VIRULENCE FACTOR
REGULATOR

(Pseudomonas
aeruginosa) 		PF00027
(cNMP_binding)
PF00325
(Crp) 		4 PHE A  71
ILE A  32
MET A 125
PHE A  42
 None
CMP  A 301 ( 4.3A)
None
None
 1.36A 3octA-2oz6A:
undetectable		 3octA-2oz6A:
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 ILE A 290
MET A 210
ASN A 211
PHE A 498
 None
 1.22A 3octA-2pncA:
undetectable		 3octA-2pncA:
15.07
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.
2qfe CALPAIN-7

(Homo sapiens) 		PF01067
(Calpain_III) 		4 PHE A 801
ILE A 781
ASN A 693
PHE A 782
 None
None
BR  A   5 ( 4.8A)
None
 1.35A 3octA-2qfeA:
undetectable		 3octA-2qfeA:
21.64
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.
2reu TYPE II RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		no annotation 4 PHE A 143
ILE A 140
ASN A 246
PHE A 142
 None
 1.41A 3octA-2reuA:
undetectable		 3octA-2reuA:
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.
2wch GENERAL
ODORANT-BINDING
PROTEIN 1

(Bombyx mori) 		PF01395
(PBP_GOBP) 		4 PHE A  80
ILE A 127
MET A  73
ASN A  72
 None
None
B7M  A1145 (-4.4A)
None
 1.39A 3octA-2wchA:
undetectable		 3octA-2wchA:
20.40
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.
2xy3 SPBC2
PROPHAGE-DERIVED
DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE
YOSS

(Bacillus
subtilis) 		PF00692
(dUTPase) 		4 PHE A  91
ILE A 108
ASN A  87
PHE A  92
 DUP  A1130 (-3.3A)
None
None
None
 1.35A 3octA-2xy3A:
undetectable		 3octA-2xy3A:
19.78
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.
2z0b PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
5

(Homo sapiens) 		PF00686
(CBM_20) 		4 PHE A  74
ILE A  15
ASN A  36
PHE A  25
 None
 0.99A 3octA-2z0bA:
undetectable		 3octA-2z0bA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2za1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Plasmodium
falciparum) 		PF00215
(OMPdecase) 		4 PHE A  79
ILE A  62
MET A  33
ASN A  31
 None
 1.37A 3octA-2za1A:
undetectable		 3octA-2za1A:
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.
3doa FIBRINOGEN BINDING
PROTEIN

(Staphylococcus
aureus) 		PF05833
(FbpA) 		4 PHE A 251
ILE A 205
ASN A  54
PHE A 253
 None
 1.38A 3octA-3doaA:
undetectable		 3octA-3doaA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PHE A 181
ILE A 187
MET A  52
ASN A  44
 None
 1.28A 3octA-3dslA:
undetectable		 3octA-3dslA:
20.09
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 PHE A 204
ILE A 132
ASN A 361
PHE A 203
 None
 1.21A 3octA-3ei8A:
undetectable		 3octA-3ei8A:
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		4 PHE A 653
ILE A 613
ASN A 621
PHE A 647
 None
 1.37A 3octA-3eqnA:
undetectable		 3octA-3eqnA:
15.97
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		4 PHE A 102
ILE A 149
ASN A  73
PHE A  85
 None
 1.13A 3octA-3fgbA:
undetectable		 3octA-3fgbA:
22.07
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.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 PHE A 466
ILE A  15
ASN A 458
PHE A 125
 None
 1.27A 3octA-3geiA:
undetectable		 3octA-3geiA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 PHE A 334
ILE A 414
ASN A 302
PHE A 376
 None
None
ATP  A1760 (-4.6A)
None
 1.26A 3octA-3ll3A:
undetectable		 3octA-3ll3A:
18.86
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		4 PHE A 494
ILE A 561
ASN A 545
PHE A 514
 None
 1.26A 3octA-3n9oA:
undetectable		 3octA-3n9oA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 PHE A  29
ILE A 246
ASN A 198
PHE A 262
 None
 1.35A 3octA-3ncyA:
undetectable		 3octA-3ncyA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nr5 REPRESSOR OF RNA
POLYMERASE III
TRANSCRIPTION MAF1
HOMOLOG

(Homo sapiens) 		PF09174
(Maf1) 		4 PHE A 154
ILE A 151
ASN A 105
PHE A 142
 None
 1.33A 3octA-3nr5A:
undetectable		 3octA-3nr5A:
19.77
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.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 PHE A 227
MET A 279
ASN A 277
PHE A 247
 None
HEM  A 501 (-2.3A)
None
None
 1.41A 3octA-3o5cA:
undetectable		 3octA-3o5cA:
23.08
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.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		4 PHE A  20
ILE A  64
ASN A 192
PHE A  10
 None
 1.15A 3octA-3oyoA:
undetectable		 3octA-3oyoA:
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.
3ps5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 PHE A 244
ILE A 488
ASN A 225
PHE A 248
 None
 1.35A 3octA-3ps5A:
undetectable		 3octA-3ps5A:
18.57
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		4 ILE A 140
MET A   1
ASN A  -1
PHE A 113
 None
 1.25A 3octA-3r89A:
undetectable		 3octA-3r89A:
24.76
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		4 PHE A 103
ILE A 150
ASN A  74
PHE A  86
 None
 1.10A 3octA-3scyA:
undetectable		 3octA-3scyA:
23.12
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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 PHE A 264
ILE A 254
ASN A 294
PHE A 257
 None
 1.27A 3octA-3t5bA:
undetectable		 3octA-3t5bA:
18.84
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ILE A 412
MET A 233
ASN A 236
PHE A 410
 None
 0.99A 3octA-3ti8A:
undetectable		 3octA-3ti8A:
18.82
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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE B 767
ILE B 698
ASN B 939
PHE B 740
 None
 1.33A 3octA-3tixB:
undetectable		 3octA-3tixB:
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		4 ILE A  17
MET A 508
ASN A  87
PHE A  22
 None
 1.25A 3octA-3u5uA:
undetectable		 3octA-3u5uA:
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.
3uem PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 PHE A 290
ILE A 301
ASN A 274
PHE A 240
 None
D1D  A2815 ( 4.3A)
None
D1D  A2815 ( 4.4A)
 1.35A 3octA-3uemA:
undetectable		 3octA-3uemA:
22.07
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 ILE B 684
MET B 817
ASN B 816
PHE B 681
 None
 1.35A 3octA-3v0aB:
undetectable		 3octA-3v0aB:
12.13
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 PHE A 668
ILE A 621
ASN A 403
PHE A 362
 None
 1.14A 3octA-3v9fA:
undetectable		 3octA-3v9fA:
16.31
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.
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 PHE A 220
ILE A 240
ASN A 142
PHE A 250
 None
 1.39A 3octA-3wzfA:
undetectable		 3octA-3wzfA:
19.47
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.
3x1l CRISPR SYSTEM CMR
SUBUNIT CMR2
CRISPR SYSTEM CMR
SUBUNIT CMR5

(Archaeoglobus
fulgidus;
Pyrococcus
furiosus) 		PF09701
(Cas_Cmr5)
PF12469
(DUF3692) 		4 PHE F  15
ILE F 139
MET A 810
PHE F  13
 None
 1.41A 3octA-3x1lF:
undetectable		 3octA-3x1lF:
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.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 PHE A 342
ILE A 387
MET A 297
PHE A 315
 CMH  A 340 ( 4.2A)
None
None
CMH  A 340 ( 4.6A)
 1.35A 3octA-4acaA:
undetectable		 3octA-4acaA:
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.
4asc KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF01344
(Kelch_1) 		4 PHE A 321
ILE A 583
ASN A 614
PHE A 608
 None
 1.39A 3octA-4ascA:
undetectable		 3octA-4ascA:
22.39
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PHE A  88
ILE A 328
ASN A 337
PHE A  90
 None
None
None
7AH  A1000 (-3.9A)
 1.24A 3octA-4cgnA:
undetectable		 3octA-4cgnA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		4 PHE A  24
ILE A 376
MET A  43
ASN A 109
 None
 1.35A 3octA-4dkjA:
undetectable		 3octA-4dkjA:
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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A 158
ILE A  73
ASN A  66
PHE A  56
 None
 1.29A 3octA-4euuA:
21.5		 3octA-4euuA:
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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		4 PHE W 731
ILE W   7
ASN W 716
PHE W 147
 None
 1.29A 3octA-4f5xW:
undetectable		 3octA-4f5xW:
13.50
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 4 PHE B 478
MET B 593
ASN B 591
PHE B 474
 None
 1.36A 3octA-4fdgB:
undetectable		 3octA-4fdgB:
15.78
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.
4g6v ADHESIN/HEMOLYSIN
CDII

(Burkholderia
pseudomallei) 		no annotation 4 PHE B   6
ILE B  91
ASN A 231
PHE B  62
 None
 1.23A 3octA-4g6vB:
undetectable		 3octA-4g6vB:
16.47
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.
4gct NUCLEOID OCCLUSION
FACTOR SLMA

(Vibrio cholerae) 		PF00440
(TetR_N) 		4 PHE A  50
ILE A  30
ASN A   8
PHE A  57
 None
 1.35A 3octA-4gctA:
undetectable		 3octA-4gctA:
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		4 PHE A 133
ILE A  91
MET A  15
PHE A 132
 None
 1.40A 3octA-4hjwA:
undetectable		 3octA-4hjwA:
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.
4koo SINGLE-STRANDED
DNA-BINDING PROTEIN
WHY1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF08536
(Whirly) 		4 PHE A 140
ILE A 209
ASN A 198
PHE A 192
 MES  A 302 (-4.2A)
None
None
None
 1.39A 3octA-4kooA:
undetectable		 3octA-4kooA:
20.22
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		4 PHE A 264
ILE A 281
ASN A 291
PHE A 260
 None
 1.35A 3octA-4l7zA:
undetectable		 3octA-4l7zA:
20.83
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 700
MET A 650
ASN A 625
PHE A 694
 None
 1.23A 3octA-4mn8A:
undetectable		 3octA-4mn8A:
16.20
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.
4ohq TRIOSEPHOSPHATE
ISOMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00121
(TIM) 		4 PHE A   8
ILE A 227
ASN A 160
PHE A 230
 None
 1.19A 3octA-4ohqA:
undetectable		 3octA-4ohqA:
19.57
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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		4 PHE A 372
ILE A  33
ASN A 144
PHE A  35
 None
 1.09A 3octA-4p0fA:
undetectable		 3octA-4p0fA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ph6 3-DEHYDROQUINATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF01487
(DHquinase_I) 		4 PHE A  92
ILE A 115
ASN A  54
PHE A  98
 None
 1.25A 3octA-4ph6A:
undetectable		 3octA-4ph6A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		4 PHE A 682
MET A 629
ASN A 630
PHE A 673
 None
 1.15A 3octA-4rt6A:
undetectable		 3octA-4rt6A:
15.16
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.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		4 PHE A 188
ILE A 191
MET A 175
PHE A 159
 None
 1.09A 3octA-4rz2A:
undetectable		 3octA-4rz2A:
21.74
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 PHE A 388
ILE A 579
ASN A 317
PHE A 391
 None
 1.29A 3octA-4wisA:
undetectable		 3octA-4wisA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 2

(Drosophila
melanogaster) 		PF04084
(ORC2) 		4 PHE B 485
ILE B 346
ASN B 436
PHE B 351
 None
 1.24A 3octA-4xgcB:
undetectable		 3octA-4xgcB:
21.25
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.
4zro 3C-LIKE PROTEINASE

(Alphacoronavirus
1) 		PF05409
(Peptidase_C30) 		4 PHE A 158
ILE A 113
ASN A  96
PHE A 111
 None
 1.27A 3octA-4zroA:
undetectable		 3octA-4zroA:
19.49
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.
5cee NAD-DEPENDENT MALIC
ENZYME

(Aster yellows
witches'-broom
phytoplasma) 		PF00390
(malic)
PF03949
(Malic_M) 		4 PHE A 281
ILE A 290
ASN A 360
PHE A 257
 None
 0.95A 3octA-5ceeA:
undetectable		 3octA-5ceeA:
19.39
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.
5ewx ENDOLYSIN,IMMUNOGLOB
ULIN G-BINDING
PROTEIN A,ENDOLYSIN

(Escherichia
virus T4;
Staphylococcus
aureus) 		PF00959
(Phage_lysozyme)
PF02216
(B) 		4 PHE A   4
ILE A 100
MET A   1
PHE A 104
 None
 1.21A 3octA-5ewxA:
1.8		 3octA-5ewxA:
22.10
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.
5h82 HETEROYOHIMBINE
SYNTHASE THAS2

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 213
ILE A 198
ASN A 331
PHE A 263
 None
 1.15A 3octA-5h82A:
undetectable		 3octA-5h82A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 365
ILE A 224
ASN A 347
PHE A 341
 None
None
AKG  A 502 ( 3.6A)
None
 1.38A 3octA-5ijzA:
undetectable		 3octA-5ijzA:
18.69
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ILE A1227
MET A1267
ASN A1270
PHE A1225
 None
 1.37A 3octA-5ip9A:
2.3		 3octA-5ip9A:
9.97
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 ILE A1178
MET A 305
ASN A 303
PHE A 169
 None
 1.37A 3octA-5k94A:
undetectable		 3octA-5k94A:
19.53
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.
5mr3 VITELLINE ENVELOPE
SPERM LYSIN RECEPTOR

(Haliotis
rufescens) 		PF11386
(VERL) 		4 PHE B 181
ILE B 188
MET B 226
ASN B 225
 GOL  B 901 (-4.4A)
None
None
None
 0.94A 3octA-5mr3B:
undetectable		 3octA-5mr3B:
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 4 PHE A 174
ILE A 177
MET A 145
ASN A 143
 None
 1.28A 3octA-5n7qA:
undetectable		 3octA-5n7qA:
16.96
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 PHE A 845
ILE A 770
MET A 690
ASN A 689
 None
 1.33A 3octA-5n94A:
undetectable		 3octA-5n94A:
17.67
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 PHE A 778
ILE A 762
ASN A 681
PHE A 779
 None
 1.34A 3octA-5nvrA:
undetectable		 3octA-5nvrA:
12.61
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 4 PHE A 164
ILE A 272
ASN A  44
PHE A 274
 None
 1.41A 3octA-5opqA:
undetectable		 3octA-5opqA:
16.46
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A 544
MET A 471
ASN A 457
PHE A 543
 None
 1.39A 3octA-5t0lA:
undetectable		 3octA-5t0lA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 4 PHE A 127
ILE A  18
ASN A 158
PHE A  94
 None
 0.93A 3octA-5th3A:
undetectable		 3octA-5th3A:
21.72
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.
5tz8 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		4 PHE A 517
ILE A 367
MET A 567
ASN A 563
 None
 1.37A 3octA-5tz8A:
undetectable		 3octA-5tz8A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		4 ILE A 173
MET A  86
ASN A  85
PHE A 174
 None
 1.25A 3octA-5u4oA:
undetectable		 3octA-5u4oA:
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.
5v88 LYSOZYME,DCN1-LIKE
PROTEIN 1

(Escherichia
virus T4;
Homo sapiens) 		PF00959
(Phage_lysozyme)
PF03556
(Cullin_binding) 		4 PHE A   4
ILE A 100
MET A   1
PHE A 104
 None
 1.21A 3octA-5v88A:
1.7		 3octA-5v88A:
19.79
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.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 4 PHE A  42
ILE A  36
ASN A  23
PHE A  14
 None
 1.39A 3octA-5vbkA:
undetectable		 3octA-5vbkA:
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.
5yx9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Homo sapiens) 		no annotation 4 ILE A 682
MET A 652
ASN A 654
PHE A 679
 None
 1.36A 3octA-5yx9A:
2.0		 3octA-5yx9A:
11.70
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 4 PHE A1735
ILE A1741
ASN A1690
PHE A1737
 None
 1.40A 3octA-6bq1A:
3.8		 3octA-6bq1A:
0.00