SIMILAR PATTERNS OF AMINO ACIDS FOR 3MSS_A_STIA1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  18
ALA A  31
GLU A  51
PHE A  82
LEU A 133
ALA A 143
 None
 0.91A 3mssA-1h4lA:
17.1		 3mssA-1h4lA:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 267
TYR A 272
VAL A 275
ALA A 288
GLU A 305
MET A 309
THR A 334
LEU A 389
 P16  A   2 ( 4.2A)
P16  A   2 (-3.6A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.2A)
P16  A   2 (-3.3A)
P16  A   2 (-3.7A)
P16  A   2 (-4.4A)
 0.76A 3mssA-1opkA:
34.5		 3mssA-1opkA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
GLU A 305
MET A 309
ILE A 312
THR A 334
PHE A 336
LEU A 389
ALA A 399
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.2A)
P16  A   2 (-3.3A)
None
P16  A   2 (-3.7A)
P16  A   2 ( 4.4A)
P16  A   2 (-4.4A)
P16  A   2 (-3.5A)
 0.74A 3mssA-1opkA:
34.5		 3mssA-1opkA:
58.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 LEU A 164
VAL A 172
ALA A 185
GLU A 202
LEU A 301
ALA A 549
 ADP  A 810 ( 4.3A)
ADP  A 810 (-4.1A)
ADP  A 810 (-3.3A)
None
ADP  A 810 (-4.7A)
None
 0.90A 3mssA-1q8yA:
20.6		 3mssA-1q8yA:
21.22
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) 		7 LEU A 595
VAL A 603
ALA A 621
GLU A 640
THR A 670
LEU A 799
ASP A 810
 STI  A   3 ( 3.8A)
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.6A)
STI  A   3 (-3.2A)
STI  A   3 (-4.4A)
STI  A   3 (-3.9A)
 0.66A 3mssA-1t46A:
34.0		 3mssA-1t46A:
36.59
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) 		6 LEU A 344
VAL A 352
ALA A 367
GLU A 386
MET A 390
LEU A 468
 STU  A 100 (-3.8A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
None
None
STU  A 100 (-4.5A)
 0.57A 3mssA-1u59A:
30.4		 3mssA-1u59A:
38.57
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  18
VAL A  26
ALA A  39
PHE A  93
LEU A 144
ALA A 154
 ATP  A 381 (-4.4A)
ATP  A 381 (-4.0A)
ATP  A 381 (-3.6A)
ATP  A 381 (-4.1A)
None
None
 0.69A 3mssA-1ua2A:
21.4		 3mssA-1ua2A:
24.10
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  26
VAL A  34
ALA A  47
GLU A  65
PHE A 100
LEU A 155
ASP A 166
 STU  A1301 (-4.2A)
STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
None
STU  A1301 (-4.5A)
STU  A1301 ( 4.8A)
None
 0.74A 3mssA-2bujA:
22.9		 3mssA-2bujA:
23.88
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) 		8 LEU X  17
VAL X  25
ALA X  37
GLU X  54
MET X  58
THR X  82
LEU X 137
ALA X 147
 STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
None
STU  X 902 (-4.1A)
STU  X 902 (-4.4A)
STU  X 902 ( 4.1A)
 0.76A 3mssA-2dq7X:
32.0		 3mssA-2dq7X:
44.22
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 162
VAL A 170
ALA A 184
GLU A 201
ILE A 208
LEU A 290
ALA A 319
 None
 0.70A 3mssA-2eu9A:
21.5		 3mssA-2eu9A:
23.18
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 LEU A 273
VAL A 281
ALA A 293
THR A 338
LEU A 393
ALA A 403
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.1A)
H8H  A 534 (-4.5A)
H8H  A 534 ( 4.0A)
 0.78A 3mssA-2h8hA:
30.3		 3mssA-2h8hA:
28.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LEU A 273
VAL A 281
ALA A 293
THR A 338
PHE A 340
LEU A 393
ALA A 403
 QUE  A   1 (-3.9A)
QUE  A   1 ( 4.8A)
QUE  A   1 (-3.5A)
QUE  A   1 (-3.3A)
QUE  A   1 (-4.2A)
QUE  A   1 (-4.4A)
QUE  A   1 ( 4.5A)
 0.92A 3mssA-2hckA:
29.9		 3mssA-2hckA:
30.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 VAL A 643
ALA A 659
GLU A 678
MET A 682
THR A 707
PHE A 709
ASP A 772
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
ADP  A 400 ( 4.9A)
None
ADP  A 400 (-4.7A)
None
ADP  A 400 ( 4.8A)
 0.89A 3mssA-2henA:
26.3		 3mssA-2henA:
39.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 VAL A 643
ALA A 659
THR A 707
PHE A 709
LEU A 761
ASP A 772
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
ADP  A 400 (-4.7A)
None
ADP  A 400 ( 4.7A)
ADP  A 400 ( 4.8A)
 0.81A 3mssA-2henA:
26.3		 3mssA-2henA:
39.13
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) 		8 LEU A 251
VAL A 259
ALA A 271
GLU A 288
MET A 292
THR A 316
PHE A 318
ASP A 382
 1BM  A 499 ( 3.7A)
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.2A)
1BM  A 499 ( 3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-4.1A)
1BM  A 499 (-4.4A)
 0.97A 3mssA-2hk5A:
27.6		 3mssA-2hk5A:
46.83
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) 		9 LEU A 251
VAL A 259
ALA A 271
MET A 292
THR A 316
PHE A 318
LEU A 371
ALA A 381
ASP A 382
 1BM  A 499 ( 3.7A)
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 ( 3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-4.1A)
1BM  A 499 (-4.4A)
1BM  A 499 ( 3.7A)
1BM  A 499 (-4.4A)
 1.00A 3mssA-2hk5A:
27.6		 3mssA-2hk5A:
46.83
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) 		9 ALA A 269
GLU A 286
MET A 290
ILE A 293
THR A 315
PHE A 317
LEU A 370
ALA A 380
ASP A 381
 GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.2A)
GIN  A 600 (-4.5A)
GIN  A 600 (-3.4A)
GIN  A 600 (-4.3A)
GIN  A 600 (-4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-4.9A)
 0.77A 3mssA-2hz0A:
34.6		 3mssA-2hz0A:
97.45
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
GLU A 286
MET A 290
ILE A 293
THR A 315
PHE A 317
LEU A 370
ALA A 380
 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 (-4.5A)
GIN  A 600 (-3.4A)
GIN  A 600 (-4.3A)
GIN  A 600 (-4.7A)
GIN  A 600 (-3.1A)
 0.67A 3mssA-2hz0A:
34.6		 3mssA-2hz0A:
97.45
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  18
ALA A  31
GLU A  51
PHE A  82
LEU A 134
ALA A 144
 None
 0.74A 3mssA-2jgzA:
16.5		 3mssA-2jgzA:
28.12
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) 		9 LEU A 251
VAL A 259
ALA A 271
GLU A 288
MET A 292
THR A 316
LEU A 371
ALA A 381
ASP A 382
 None
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 4.3A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.3A)
 0.63A 3mssA-2og8A:
32.1		 3mssA-2og8A:
45.30
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
GLU A 633
MET A 637
THR A 663
ASP A 796
 None
 0.91A 3mssA-2ogvA:
32.1		 3mssA-2ogvA:
38.24
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
GLU A 633
MET A 637
THR A 663
LEU A 785
 None
 0.88A 3mssA-2ogvA:
32.1		 3mssA-2ogvA:
38.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psq FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 487
VAL A 495
ALA A 515
GLU A 534
MET A 538
ILE A 541
LEU A 633
ALA A 643
 None
 0.66A 3mssA-2psqA:
32.0		 3mssA-2psqA:
35.00
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A 215
ILE A 233
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 1.16A 3mssA-2qluA:
24.4		 3mssA-2qluA:
24.23
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 204
ALA A 215
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.80A 3mssA-2qluA:
24.4		 3mssA-2qluA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.08A 3mssA-2qobA:
26.5		 3mssA-2qobA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 689
ALA A 705
GLU A 724
MET A 728
THR A 753
ASP A 818
 None
 0.98A 3mssA-2r2pA:
31.3		 3mssA-2r2pA:
37.17
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
GLU A 290
MET A 294
THR A 319
PHE A 321
ASP A 385
 None
 1.13A 3mssA-2zv7A:
31.4		 3mssA-2zv7A:
46.08
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
MET A 294
THR A 319
PHE A 321
ALA A 384
ASP A 385
 None
 1.12A 3mssA-2zv7A:
31.4		 3mssA-2zv7A:
46.08
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
MET A 294
THR A 319
PHE A 321
LEU A 374
ALA A 384
 None
 1.20A 3mssA-2zv7A:
31.4		 3mssA-2zv7A:
46.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2t FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 487
VAL A 495
ALA A 515
GLU A 534
MET A 538
ILE A 541
 M33  A1996 (-4.0A)
M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
None
None
None
 0.73A 3mssA-3b2tA:
25.7		 3mssA-3b2tA:
39.13
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) 		7 LEU A 487
VAL A 495
ALA A 515
MET A 538
ILE A 541
LEU A 633
ALA A 643
 M33  A1996 (-4.0A)
M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
None
None
M33  A1996 (-4.5A)
None
 0.74A 3mssA-3b2tA:
25.7		 3mssA-3b2tA:
39.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A1092
ALA A1108
GLU A1127
MET A1131
ALA A1221
ASP A1222
 CKK  A1500 ( 4.3A)
CKK  A1500 (-3.2A)
CKK  A1500 (-3.4A)
CKK  A1500 (-3.4A)
CKK  A1500 (-3.4A)
CKK  A1500 (-4.5A)
 1.01A 3mssA-3c1xA:
26.5		 3mssA-3c1xA:
32.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 484
VAL A 492
ALA A 512
GLU A 531
MET A 535
ILE A 538
LEU A 630
ALA A 640
 C4F  A   1 ( 3.9A)
None
C4F  A   1 (-3.3A)
None
C4F  A   1 ( 3.7A)
None
C4F  A   1 (-4.6A)
C4F  A   1 (-3.6A)
 0.73A 3mssA-3c4fA:
31.2		 3mssA-3c4fA:
39.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 647
ALA A 663
GLU A 682
MET A 686
PHE A 713
ASP A 776
 IHZ  A1001 ( 4.4A)
IHZ  A1001 (-3.3A)
IHZ  A1001 (-3.8A)
IHZ  A1001 (-3.5A)
None
IHZ  A1001 (-4.8A)
 0.77A 3mssA-3dkoA:
30.8		 3mssA-3dkoA:
35.29
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 LEU A  15
VAL A  23
ALA A  36
GLU A  50
MET A  54
LEU A 173
 DRK  A 384 (-3.8A)
None
DRK  A 384 (-3.5A)
None
None
DRK  A 384 (-4.4A)
 0.64A 3mssA-3eb0A:
21.0		 3mssA-3eb0A:
22.34
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) 		7 LEU A 833
VAL A 841
ALA A 859
GLU A 878
ILE A 885
LEU A1029
ASP A1040
 8ST  A2001 ( 4.7A)
8ST  A2001 ( 4.6A)
8ST  A2001 ( 3.8A)
8ST  A2001 (-3.7A)
None
None
None
 0.91A 3mssA-3hngA:
33.1		 3mssA-3hngA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 VAL A 649
ALA A 665
GLU A 684
MET A 688
THR A 713
LEU A 767
 None
 0.63A 3mssA-3kulA:
31.6		 3mssA-3kulA:
34.44
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  33
ALA A  46
GLU A  66
PHE A 105
LEU A 156
ALA A 166
 None
 0.71A 3mssA-3mi9A:
22.1		 3mssA-3mi9A:
26.08
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  33
ALA A  46
ILE A  69
PHE A 105
LEU A 156
ALA A 166
 None
 1.06A 3mssA-3mi9A:
22.1		 3mssA-3mi9A:
26.08
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.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 216
ALA A 227
ILE A 245
THR A 277
ALA A 347
ASP A 348
 LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
None
LDN  A 600 (-4.0A)
LDN  A 600 ( 3.8A)
None
 0.97A 3mssA-3my0A:
24.9		 3mssA-3my0A:
28.57
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.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 216
ALA A 227
THR A 277
LEU A 337
ALA A 347
ASP A 348
 LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
LDN  A 600 (-4.0A)
LDN  A 600 (-4.6A)
LDN  A 600 ( 3.8A)
None
 0.75A 3mssA-3my0A:
24.9		 3mssA-3my0A:
28.57
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.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 VAL A  37
ALA A  49
GLU A  69
PHE A 100
ALA A 161
ASP A 162
 ADP  A 314 (-4.0A)
ADP  A 314 (-3.5A)
None
ADP  A 314 ( 4.3A)
None
MG  A 312 ( 3.3A)
 1.10A 3mssA-3nizA:
16.7		 3mssA-3nizA:
26.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 VAL A  37
ALA A  49
GLU A  69
PHE A 100
LEU A 151
ALA A 161
 ADP  A 314 (-4.0A)
ADP  A 314 (-3.5A)
None
ADP  A 314 ( 4.3A)
ADP  A 314 (-4.6A)
None
 0.96A 3mssA-3nizA:
16.7		 3mssA-3nizA:
26.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  88
VAL A  96
ALA A 109
GLU A 130
MET A 134
LEU A 212
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-3.1A)
None
None
 0.62A 3mssA-3nuuA:
22.7		 3mssA-3nuuA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 206
ALA A 217
THR A 267
PHE A 269
LEU A 329
ALA A 339
 TAK  A   2 ( 4.9A)
TAK  A   2 (-3.5A)
TAK  A   2 (-3.5A)
TAK  A   2 (-4.3A)
TAK  A   2 (-4.6A)
TAK  A   2 ( 4.2A)
 0.73A 3mssA-3q4tA:
24.0		 3mssA-3q4tA:
26.28
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  63
VAL A  71
ALA A  84
GLU A 115
THR A 144
PHE A 146
LEU A 197
 ANP  A1634 ( 4.3A)
ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
ANP  A1634 (-4.6A)
ANP  A1634 (-4.8A)
ANP  A1634 (-4.4A)
 0.82A 3mssA-3q5iA:
20.0		 3mssA-3q5iA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s95 LIM DOMAIN KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 345
GLU A 384
MET A 388
THR A 413
LEU A 467
ALA A 477
 STU  A   1 (-3.8A)
STU  A   1 (-3.7A)
None
STU  A   1 (-3.9A)
STU  A   1 (-4.6A)
STU  A   1 ( 4.1A)
 1.13A 3mssA-3s95A:
24.0		 3mssA-3s95A:
31.37
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) 		6 LEU A 423
VAL A 431
ALA A 443
MET A 464
THR A 489
LEU A 543
 PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 ( 4.3A)
PP2  A   1 (-3.3A)
PP2  A   1 (-4.6A)
 0.80A 3mssA-3sxsA:
31.8		 3mssA-3sxsA:
41.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 484
VAL A 492
ALA A 512
GLU A 531
MET A 535
ILE A 538
LEU A 630
ALA A 640
 07J  A   1 ( 4.3A)
07J  A   1 (-4.0A)
07J  A   1 (-3.5A)
07J  A   1 (-3.8A)
07J  A   1 (-3.8A)
None
07J  A   1 ( 4.4A)
07J  A   1 (-3.2A)
 0.72A 3mssA-3tt0A:
30.5		 3mssA-3tt0A:
34.38
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 ALA A 382
GLU A 403
PHE A 435
LEU A 486
ALA A 496
ASP A 497
 07U  A   1 (-3.3A)
07U  A   1 ( 4.8A)
None
07U  A   1 (-4.3A)
07U  A   1 ( 4.0A)
07U  A   1 (-3.6A)
 1.15A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 ALA A 382
ILE A 406
PHE A 435
LEU A 486
ALA A 496
ASP A 497
 07U  A   1 (-3.3A)
None
None
07U  A   1 (-4.3A)
07U  A   1 ( 4.0A)
07U  A   1 (-3.6A)
 1.05A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 361
ALA A 382
GLU A 403
PHE A 435
LEU A 486
ALA A 496
 07U  A   1 ( 4.8A)
07U  A   1 (-3.3A)
07U  A   1 ( 4.8A)
None
07U  A   1 (-4.3A)
07U  A   1 ( 4.0A)
 0.99A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 361
ALA A 382
ILE A 406
PHE A 435
LEU A 486
ALA A 496
 07U  A   1 ( 4.8A)
07U  A   1 (-3.3A)
None
None
07U  A   1 (-4.3A)
07U  A   1 ( 4.0A)
 0.97A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 361
VAL A 369
ALA A 382
GLU A 403
PHE A 435
LEU A 486
 07U  A   1 ( 4.8A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
07U  A   1 ( 4.8A)
None
07U  A   1 (-4.3A)
 0.83A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 361
VAL A 369
ALA A 382
ILE A 406
PHE A 435
LEU A 486
 07U  A   1 ( 4.8A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
None
None
07U  A   1 (-4.3A)
 0.98A 3mssA-3txoA:
14.1		 3mssA-3txoA:
24.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vid VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 4TT  A2001 ( 4.0A)
4TT  A2001 ( 4.5A)
4TT  A2001 (-3.5A)
None
None
4TT  A2001 (-4.5A)
4TT  A2001 (-4.8A)
None
 0.78A 3mssA-3vidA:
30.2		 3mssA-3vidA:
33.33
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
GLU A 885
ILE A 892
PHE A 918
LEU A1035
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
None
LEV  A1201 (-4.7A)
LEV  A1201 (-4.8A)
 0.70A 3mssA-3wzdA:
31.2		 3mssA-3wzdA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 633
ALA A 649
GLU A 668
MET A 672
THR A 697
PHE A 699
 None
 0.78A 3mssA-3zfxA:
31.5		 3mssA-3zfxA:
40.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 (-4.5A)
None
 0.88A 3mssA-4agdA:
32.7		 3mssA-4agdA:
35.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 105
ALA A 121
GLU A 140
MET A 144
THR A 169
PHE A 171
 30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
None
None
30K  A1365 (-3.8A)
30K  A1365 (-4.4A)
 0.81A 3mssA-4aw5A:
27.0		 3mssA-4aw5A:
39.74
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.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  42
VAL A  50
ALA A  63
GLU A  81
PHE A 112
LEU A 164
ALA A 174
 XZN  A1317 (-3.6A)
XZN  A1317 ( 4.7A)
XZN  A1317 (-3.5A)
XZN  A1317 (-3.9A)
XZN  A1317 (-4.5A)
XZN  A1317 (-4.7A)
XZN  A1317 ( 4.3A)
 0.79A 3mssA-4bc6A:
21.5		 3mssA-4bc6A:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  42
VAL A  50
ALA A  63
ILE A  84
PHE A 112
LEU A 164
ALA A 174
 XZN  A1317 (-3.6A)
XZN  A1317 ( 4.7A)
XZN  A1317 (-3.5A)
None
XZN  A1317 (-4.5A)
XZN  A1317 (-4.7A)
XZN  A1317 ( 4.3A)
 0.97A 3mssA-4bc6A:
21.5		 3mssA-4bc6A:
28.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 616
VAL A 624
ALA A 653
GLU A 672
MET A 676
THR A 701
LEU A 773
ALA A 783
ASP A 784
 None
DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.7A)
DI1  A1000 (-4.1A)
 0.65A 3mssA-4ckrA:
32.2		 3mssA-4ckrA:
37.27
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 663
VAL A 671
ALA A 684
GLU A 705
LEU A 789
ALA A 799
 AGS  A1985 (-4.2A)
AGS  A1985 (-4.6A)
AGS  A1985 (-3.5A)
None
AGS  A1985 (-4.8A)
AGS  A1985 ( 4.5A)
 0.84A 3mssA-4crsA:
20.5		 3mssA-4crsA:
26.05
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) 		6 LEU A 377
VAL A 385
ALA A 400
GLU A 420
MET A 424
LEU A 501
 0SB  A 701 ( 3.9A)
0SB  A 701 (-4.0A)
0SB  A 701 (-3.3A)
None
None
0SB  A 701 (-4.4A)
 0.94A 3mssA-4f4pA:
30.1		 3mssA-4f4pA:
40.40
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
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.83A 3mssA-4k33A:
26.6		 3mssA-4k33A:
37.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  41
ALA A  54
GLU A  70
MET A  74
LEU A 153
ALA A 163
 GOL  A 404 (-4.5A)
GOL  A 404 ( 3.1A)
None
None
GOL  A 403 ( 4.4A)
GOL  A 403 ( 3.0A)
 1.18A 3mssA-4lg4A:
17.8		 3mssA-4lg4A:
26.06
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) 		6 LEU A 273
VAL A 281
ALA A 293
MET A 314
LEU A 393
ALA A 403
 VGG  A 601 (-3.2A)
VGG  A 601 ( 3.5A)
VGG  A 601 (-3.5A)
VGG  A 601 ( 3.6A)
VGG  A 601 (-4.5A)
VGG  A 601 ( 4.2A)
 1.04A 3mssA-4lggA:
29.6		 3mssA-4lggA:
45.73
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 LEU A  78
VAL A  86
ALA A  99
GLU A 117
MET A 121
LEU A 199
 STU  A 601 ( 4.0A)
STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
None
None
STU  A 601 (-4.7A)
 0.95A 3mssA-4mvfA:
19.0		 3mssA-4mvfA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL B  38
ALA B  51
GLU B  70
LEU B 151
ALA B 161
ASP B 162
 ADP  B 500 (-4.5A)
ADP  B 500 (-3.3A)
None
ADP  B 500 (-4.7A)
None
ADP  B 500 ( 3.4A)
 0.95A 3mssA-4o27B:
18.4		 3mssA-4o27B:
28.76
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.83A 3mssA-4o38A:
19.1		 3mssA-4o38A:
26.19
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 386
VAL A 394
ALA A 407
GLU A 428
LEU A 511
ALA A 521
 PZW  A 801 (-3.9A)
PZW  A 801 (-4.6A)
PZW  A 801 (-3.5A)
None
PZW  A 801 (-4.8A)
PZW  A 801 ( 4.6A)
 0.87A 3mssA-4q9zA:
20.1		 3mssA-4q9zA:
26.33
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) 		6 LEU A 616
VAL A 624
ALA A 642
GLU A 661
LEU A 818
ASP A 829
 P30  A1001 (-3.8A)
None
P30  A1001 (-3.4A)
P30  A1001 (-3.6A)
P30  A1001 (-4.6A)
None
 0.66A 3mssA-4rt7A:
29.2		 3mssA-4rt7A:
31.73
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) 		7 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
 1.09A 3mssA-4ueuA:
32.5		 3mssA-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  40
VAL A  48
ALA A  61
PHE A 110
LEU A 162
ALA A 172
 6UI  A 700 ( 4.9A)
None
6UI  A 700 (-3.3A)
6UI  A 700 (-4.3A)
6UI  A 700 (-4.2A)
6UI  A 700 ( 4.1A)
 0.83A 3mssA-4usfA:
19.0		 3mssA-4usfA:
28.26
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.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  48
ALA A  61
PHE A 110
LEU A 162
ALA A 172
ASP A 173
 None
6UI  A 700 (-3.3A)
6UI  A 700 (-4.3A)
6UI  A 700 (-4.2A)
6UI  A 700 ( 4.1A)
None
 1.11A 3mssA-4usfA:
19.0		 3mssA-4usfA:
28.26
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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  72
GLU A  90
MET A  94
PHE A 128
LEU A 183
ASP A 194
 KSA  A 405 (-3.2A)
None
None
KSA  A 405 (-4.8A)
KSA  A 405 (-4.6A)
ZN  A 403 ( 2.6A)
 0.95A 3mssA-4wsqA:
22.5		 3mssA-4wsqA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  52
VAL A  60
ALA A  72
GLU A  90
MET A  94
PHE A 128
LEU A 183
 KSA  A 405 ( 4.0A)
KSA  A 405 ( 4.9A)
KSA  A 405 (-3.2A)
None
None
KSA  A 405 (-4.8A)
KSA  A 405 (-4.6A)
 0.81A 3mssA-4wsqA:
22.5		 3mssA-4wsqA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 473
VAL A 481
ALA A 501
GLU A 520
MET A 524
ILE A 527
LEU A 619
ALA A 629
 40M  A1002 ( 4.6A)
40M  A1002 ( 4.5A)
40M  A1002 ( 4.1A)
40M  A1002 (-3.7A)
40M  A1002 (-3.8A)
None
40M  A1002 (-4.5A)
40M  A1002 (-3.0A)
 0.73A 3mssA-4xcuA:
30.9		 3mssA-4xcuA:
38.83
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
ILE B 312
THR B 334
PHE B 336
LEU B 389
ALA B 399
 1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-3.7A)
None
1N1  B 601 (-3.3A)
1N1  B 601 ( 4.2A)
1N1  B 601 (-4.3A)
1N1  B 601 (-3.5A)
 0.86A 3mssA-4xeyB:
35.4		 3mssA-4xeyB:
71.50
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) 		6 LEU A 616
VAL A 624
ALA A 642
GLU A 661
LEU A 818
ASP A 829
 P30  A1001 (-4.0A)
P30  A1001 ( 4.8A)
P30  A1001 (-3.5A)
P30  A1001 (-3.1A)
P30  A1001 (-4.3A)
None
 0.71A 3mssA-4xufA:
28.5		 3mssA-4xufA:
37.42
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 477
ALA A 488
GLU A 509
THR A 539
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 3mssA-4yffA:
24.9		 3mssA-4yffA:
28.88
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 LEU A  34
VAL A  42
ALA A  55
GLU A  76
THR A 105
LEU A 158
 ADP  A 506 ( 3.8A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
ADP  A 506 ( 4.6A)
ADP  A 506 (-4.7A)
 0.85A 3mssA-4ysjA:
22.6		 3mssA-4ysjA:
23.65
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
GLU A 531
MET A 535
ILE A 538
LEU A 630
ALA A 640
 38O  A1769 (-3.2A)
38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
EDO  A1766 (-4.1A)
EDO  A1766 (-3.5A)
None
38O  A1769 (-4.6A)
EDO  A1766 ( 4.4A)
 0.80A 3mssA-5a46A:
30.4		 3mssA-5a46A:
35.49
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 258
ALA A 275
GLU A 290
THR A 325
PHE A 327
LEU A 386
 STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
STU  A 601 ( 3.8A)
STU  A 601 ( 3.7A)
STU  A 601 (-3.4A)
STU  A 601 (-3.9A)
 0.79A 3mssA-5e8yA:
19.0		 3mssA-5e8yA:
29.50
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		7 LEU A  99
VAL A 107
ALA A 120
PHE A 172
LEU A 223
ALA A 233
ASP A 234
 5U5  A 401 (-3.8A)
5U5  A 401 ( 4.3A)
5U5  A 401 (-3.5A)
5U5  A 401 (-4.5A)
5U5  A 401 (-4.7A)
None
None
 0.84A 3mssA-5eykA:
17.5		 3mssA-5eykA:
24.84
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) 		8 LEU A 599
VAL A 607
ALA A 625
GLU A 644
MET A 648
THR A 674
LEU A 825
ASP A 836
 748  A1001 (-3.8A)
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-3.3A)
748  A1001 (-3.4A)
748  A1001 (-3.2A)
748  A1001 (-4.3A)
748  A1001 (-4.8A)
 0.74A 3mssA-5grnA:
29.6		 3mssA-5grnA:
35.46
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.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		6 LEU A  20
VAL A  28
ALA A  41
GLU A  61
LEU A 143
ALA A 156
 ADP  A 301 ( 4.0A)
ADP  A 301 (-3.7A)
ADP  A 301 (-3.5A)
None
ADP  A 301 (-4.7A)
ADP  A 301 ( 4.8A)
 0.89A 3mssA-5hu3A:
22.7		 3mssA-5hu3A:
27.36
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  30
ALA A  43
GLU A  61
MET A  65
PHE A  92
LEU A 143
ALA A 153
 6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
None
None
6G2  A 901 (-4.1A)
6G2  A 901 (-4.7A)
6G2  A 901 ( 4.2A)
 0.77A 3mssA-5j5tA:
21.3		 3mssA-5j5tA:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 647
ALA A 663
MET A 686
THR A 711
PHE A 713
LEU A 765
ASP A 776
 None
6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
6P6  A1001 (-3.5A)
6P6  A1001 ( 4.5A)
6P6  A1001 (-4.5A)
None
 0.79A 3mssA-5l6oA:
33.0		 3mssA-5l6oA:
37.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 593
ALA A 617
MET A 641
PHE A 673
ALA A 740
ASP A 741
 7AE  A1000 ( 3.9A)
7AE  A1000 (-3.3A)
None
7AE  A1000 (-4.1A)
7AE  A1000 ( 3.7A)
7AE  A1000 (-4.4A)
 0.99A 3mssA-5td2A:
29.3		 3mssA-5td2A:
41.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 593
VAL A 601
ALA A 617
MET A 641
PHE A 673
ALA A 740
 7AE  A1000 ( 3.9A)
7AE  A1000 ( 4.9A)
7AE  A1000 (-3.3A)
None
7AE  A1000 (-4.1A)
7AE  A1000 ( 3.7A)
 0.75A 3mssA-5td2A:
29.3		 3mssA-5td2A:
41.69
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.
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		no annotation 6 LEU A  24
VAL A  32
ALA A  45
THR A  95
LEU A 153
ALA A 163
 9WS  A 401 ( 4.2A)
9WS  A 401 ( 4.6A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
9WS  A 401 (-4.6A)
9WS  A 401 ( 4.0A)
 0.79A 3mssA-5w5jA:
19.3		 3mssA-5w5jA:
28.10
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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 6 LEU A 881
VAL A 889
ALA A 906
GLU A 925
PHE A 958
LEU A1010
 ADP  A1201 ( 4.5A)
ADP  A1201 (-4.3A)
ADP  A1201 (-3.4A)
None
None
ADP  A1201 (-4.5A)
 0.81A 3mssA-6c7yA:
21.0		 3mssA-6c7yA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 6 VAL A  74
ALA A  87
GLU A 107
MET A 111
LEU A 189
ALA A 199
 None
 0.95A 3mssA-6c9dA:
21.0		 3mssA-6c9dA:
14.81
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 6 LEU A 197
VAL A 205
ALA A 217
THR A 264
LEU A 319
ASP A 330
 FKY  A9001 (-4.1A)
FKY  A9001 ( 4.6A)
FKY  A9001 (-3.3A)
FKY  A9001 (-3.0A)
FKY  A9001 ( 4.9A)
None
 0.95A 3mssA-6cz4A:
22.1		 3mssA-6cz4A:
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.
6fdy -

(-) 		no annotation 6 LEU U  20
VAL U  28
ALA U  42
PHE U  93
ALA U 156
ASP U 157
 DB8  U 301 (-3.7A)
DB8  U 301 ( 4.8A)
DB8  U 301 (-3.6A)
DB8  U 301 ( 4.4A)
DB8  U 301 ( 4.2A)
DB8  U 301 (-3.6A)
 0.69A 3mssA-6fdyU:
21.8		 3mssA-6fdyU:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fdy -

(-) 		no annotation 6 LEU U  20
VAL U  28
ALA U  42
PHE U  93
LEU U 144
ALA U 156
 DB8  U 301 (-3.7A)
DB8  U 301 ( 4.8A)
DB8  U 301 (-3.6A)
DB8  U 301 ( 4.4A)
DB8  U 301 (-4.8A)
DB8  U 301 ( 4.2A)
 0.72A 3mssA-6fdyU:
21.8		 3mssA-6fdyU:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 7 LEU A 169
VAL A 177
ALA A 191
GLU A 208
ILE A 215
LEU A 297
ASP A 327
 3NG  A 501 (-3.9A)
3NG  A 501 ( 4.4A)
3NG  A 501 (-3.3A)
3NG  A 501 ( 4.9A)
None
None
3NG  A 501 (-4.5A)
 1.20A 3mssA-6fylA:
2.3		 3mssA-6fylA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 VAL A  72
VAL A 170
ILE A  33
ARG A 261
 None
 1.09A 3mssA-1ecgA:
undetectable		 3mssA-1ecgA:
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.
1exz STEM CELL FACTOR

(Homo sapiens) 		PF02404
(SCF) 		4 VAL A  15
VAL A  83
ILE A  76
ARG A 117
 None
 0.90A 3mssA-1exzA:
undetectable		 3mssA-1exzA:
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		4 VAL A  35
VAL A  92
ILE A  74
ARG A  10
 None
None
None
UDP  A1377 (-4.4A)
 0.98A 3mssA-1f6dA:
undetectable		 3mssA-1f6dA:
21.82
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 VAL A  82
ILE A  46
MET A  92
ARG A  28
 None
 1.13A 3mssA-1gpmA:
undetectable		 3mssA-1gpmA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gxt HYDROGENASE
MATURATION PROTEIN
HYPF

(Escherichia
coli) 		PF00708
(Acylphosphatase) 		4 VAL A  26
VAL A  20
ILE A  71
ARG A  91
 None
SO4  A1093 (-3.7A)
None
None
 0.98A 3mssA-1gxtA:
undetectable		 3mssA-1gxtA:
13.56
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.
1k1e DEOXY-D-MANNOSE-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Haemophilus
influenzae) 		PF08282
(Hydrolase_3) 		4 VAL A  54
VAL A  15
ILE A  69
ARG A 149
 None
 1.07A 3mssA-1k1eA:
undetectable		 3mssA-1k1eA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
 None
 1.12A 3mssA-1k9aA:
30.9		 3mssA-1k9aA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 VAL A 239
VAL A 249
ILE A 264
MET A 269
ARG A 313
 None
 1.09A 3mssA-1k9aA:
30.9		 3mssA-1k9aA:
30.26
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) 		4 LYS A 608
VAL A 638
MET A 657
ARG A 723
 None
 0.77A 3mssA-1lufA:
35.1		 3mssA-1lufA:
37.22
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.
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		4 VAL A 479
VAL A 358
ILE A 353
ARG A 459
 None
 0.93A 3mssA-1lw3A:
undetectable		 3mssA-1lw3A:
17.57
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.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  93
VAL A 118
ILE A 136
ARG A 185
 STU  A 401 ( 4.5A)
None
None
None
 0.97A 3mssA-1nxkA:
19.4		 3mssA-1nxkA:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 290
VAL A 308
VAL A 318
ILE A 332
 P16  A   2 (-4.5A)
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
 0.47A 3mssA-1opkA:
34.5		 3mssA-1opkA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 290
VAL A 318
ILE A 332
ARG A 381
 P16  A   2 (-4.5A)
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
None
 0.97A 3mssA-1opkA:
34.5		 3mssA-1opkA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 VAL A 308
VAL A 318
ILE A 332
MET A 337
 None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
None
 0.46A 3mssA-1opkA:
34.5		 3mssA-1opkA:
58.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvj PYROGENIC EXOTOXIN B

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		4 VAL A 394
VAL A 288
ILE A 200
ARG A 307
 None
 1.12A 3mssA-1pvjA:
undetectable		 3mssA-1pvjA:
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.
1qcw FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF01070
(FMN_dh) 		4 VAL A 281
ILE A 346
MET A 183
ARG A 353
 None
 1.14A 3mssA-1qcwA:
undetectable		 3mssA-1qcwA:
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.
1rcq CATABOLIC ALANINE
RACEMASE DADX

(Pseudomonas
aeruginosa) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 VAL A 296
VAL A 242
ILE A 288
ARG A 261
 None
 1.00A 3mssA-1rcqA:
undetectable		 3mssA-1rcqA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vaj HYPOTHETICAL PROTEIN
PH0010

(Pyrococcus
horikoshii) 		PF01871
(AMMECR1) 		4 LYS A 203
VAL A  14
ILE A 190
ARG A  53
 None
 0.83A 3mssA-1vajA:
undetectable		 3mssA-1vajA:
22.30
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.
1yww HYPOTHETICAL PROTEIN
PA4738

(Pseudomonas
aeruginosa) 		PF05532
(CsbD) 		4 VAL A  40
ILE A   6
MET A   1
ARG A  53
 None
 1.14A 3mssA-1ywwA:
undetectable		 3mssA-1ywwA:
15.81
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) 		4 VAL X  67
ILE X  80
MET X  85
ARG X 129
 None
None
None
PTR  X 160 ( 3.4A)
 0.93A 3mssA-2dq7X:
31.9		 3mssA-2dq7X:
44.22
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		4 VAL A  90
VAL A 101
ILE A  85
MET A  76
 None
 1.08A 3mssA-2euhA:
undetectable		 3mssA-2euhA:
23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 295
VAL A 323
ILE A 336
MET A 341
 None
 0.87A 3mssA-2hckA:
29.9		 3mssA-2hckA:
30.42
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) 		4 LYS A 273
VAL A 291
VAL A 301
ILE A 314
 1BM  A 499 (-3.8A)
None
None
1BM  A 499 (-3.9A)
 0.58A 3mssA-2hk5A:
27.6		 3mssA-2hk5A:
46.83
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) 		4 VAL A 291
VAL A 301
ILE A 314
MET A 319
 None
None
1BM  A 499 (-3.9A)
None
 0.61A 3mssA-2hk5A:
27.6		 3mssA-2hk5A:
46.83
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) 		4 VAL A 291
VAL A 301
MET A 319
ARG A 363
 None
 1.01A 3mssA-2hk5A:
27.6		 3mssA-2hk5A:
46.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 289
VAL A 299
ILE A 313
MET A 318
ARG A 362
 None
GIN  A 600 (-4.6A)
GIN  A 600 (-3.8A)
None
None
 0.83A 3mssA-2hz0A:
34.6		 3mssA-2hz0A:
97.45
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 VAL A 185
ILE A 213
MET A 138
ARG A 175
 None
 1.08A 3mssA-2ihmA:
undetectable		 3mssA-2ihmA:
21.12
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		4 VAL G 341
VAL G 296
ILE G 360
ARG G 367
 None
 1.05A 3mssA-2iouG:
undetectable		 3mssA-2iouG:
19.69
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.
2j0j FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF00373
(FERM_M)
PF07714
(Pkinase_Tyr) 		4 LYS A 454
VAL A 484
ILE A 497
ARG A 545
 4ST  A1687 (-3.4A)
None
None
None
 0.65A 3mssA-2j0jA:
32.1		 3mssA-2j0jA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jkm FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 LYS A 454
VAL A 484
ILE A 497
ARG A 545
 BII  A1687 (-2.9A)
None
None
None
 0.94A 3mssA-2jkmA:
32.0		 3mssA-2jkmA:
41.16
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.
2lx3 TYPE III ANTIFREEZE
PROTEIN NFEAFP11

(Zoarces
elongatus) 		no annotation 4 VAL A   5
VAL A  20
ILE A  11
ARG A  39
 None
 1.08A 3mssA-2lx3A:
undetectable		 3mssA-2lx3A:
12.03
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 VAL A 301
ILE A 314
MET A 319
ARG A 363
 None
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
 0.75A 3mssA-2og8A:
32.1		 3mssA-2og8A:
45.30
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS X  93
VAL X 118
ILE X 136
ARG X 185
 F10  X 401 (-4.3A)
None
None
None
 1.07A 3mssA-2p3gX:
17.7		 3mssA-2p3gX:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A 162
VAL A 137
ILE A 102
ARG A 152
 None
 0.99A 3mssA-2q27A:
undetectable		 3mssA-2q27A:
19.44
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		4 VAL A 196
VAL A 188
ILE A 211
ARG A 268
 None
None
None
GOL  A1441 ( 4.1A)
 1.07A 3mssA-2w38A:
undetectable		 3mssA-2w38A:
22.03
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.
2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1

(Mycobacterium
tuberculosis) 		PF02391
(MoaE) 		4 LYS A 125
VAL A  87
ILE A 121
MET A  70
 None
 1.12A 3mssA-2wp4A:
undetectable		 3mssA-2wp4A:
20.07
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) 		4 VAL A 303
ILE A 317
MET A 322
ARG A 366
 None
 1.03A 3mssA-2zv7A:
31.4		 3mssA-2zv7A:
46.08
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 531
ILE A 298
MET A 569
ARG A 435
 None
None
None
SO4  A 654 (-3.7A)
 1.06A 3mssA-3af5A:
undetectable		 3mssA-3af5A:
18.82
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) 		5 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
 None
 1.12A 3mssA-3d7uA:
27.0		 3mssA-3d7uA:
44.26
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) 		5 VAL A 239
VAL A 249
ILE A 264
MET A 269
ARG A 313
 None
 1.09A 3mssA-3d7uA:
27.0		 3mssA-3d7uA:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 LYS A 665
VAL A 695
ILE A 709
MET A 714
 IHZ  A1001 ( 4.5A)
IHZ  A1001 ( 4.9A)
None
None
 0.60A 3mssA-3dkoA:
30.8		 3mssA-3dkoA:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 VAL A 695
ILE A 709
MET A 714
ARG A 757
 IHZ  A1001 ( 4.9A)
None
None
None
 0.88A 3mssA-3dkoA:
30.8		 3mssA-3dkoA:
35.29
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		4 VAL A   9
VAL A 168
ILE A   5
ARG A  21
 None
 1.02A 3mssA-3dmeA:
undetectable		 3mssA-3dmeA:
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 VAL C1602
VAL C1647
ILE C1582
ARG C1632
 None
 1.05A 3mssA-3dqvC:
undetectable		 3mssA-3dqvC:
21.17
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 4
ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 5

(Schizosaccharomyces
pombe) 		PF04699
(P16-Arc)
PF05856
(ARPC4) 		4 VAL F  53
VAL G 145
ILE G 111
ARG F  13
 None
 1.11A 3mssA-3dwlF:
undetectable		 3mssA-3dwlF:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4

(Rattus
norvegicus) 		PF13848
(Thioredoxin_6) 		4 VAL A 413
VAL A 472
ILE A 450
ARG A 497
 None
 1.05A 3mssA-3ec3A:
undetectable		 3mssA-3ec3A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  82
VAL A 113
ILE A 127
MET A 132
 STU  A   1 ( 4.2A)
None
None
None
 0.61A 3mssA-3fmeA:
17.8		 3mssA-3fmeA:
26.06
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.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 VAL A  30
VAL A  22
ILE A 471
ARG A 107
 None
 1.07A 3mssA-3geiA:
2.7		 3mssA-3geiA:
22.73
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.
3gku PROBABLE RNA-BINDING
PROTEIN

([Clostridium]
symbiosum) 		PF01424
(R3H)
PF13083
(KH_4)
PF14804
(Jag_N) 		4 VAL A 201
VAL A 188
ILE A 154
ARG A 176
 None
 1.02A 3mssA-3gkuA:
undetectable		 3mssA-3gkuA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 4 VAL A 277
VAL A 109
ILE A 311
ARG A 233
 None
 1.03A 3mssA-3j0hA:
undetectable		 3mssA-3j0hA:
21.43
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.
3j8g GTPASE DER

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		4 VAL X 253
VAL X 291
ILE X 222
ARG X 314
 None
 1.09A 3mssA-3j8gX:
undetectable		 3mssA-3j8gX:
22.04
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		4 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 1.03A 3mssA-3khjA:
undetectable		 3mssA-3khjA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3my9 MUCONATE
CYCLOISOMERASE

(Azorhizobium
caulinodans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A   6
VAL A  86
ILE A 114
MET A 279
 None
 1.07A 3mssA-3my9A:
undetectable		 3mssA-3my9A:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 LYS A 578
VAL A 609
ILE A 623
ARG A 675
 STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
 0.72A 3mssA-3ppzA:
28.6		 3mssA-3ppzA:
35.23
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 0.81A 3mssA-3sheA:
18.5		 3mssA-3sheA:
24.48
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.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  82
VAL A 113
ILE A 127
MET A 132
 ANK  A 401 (-2.4A)
None
None
None
 1.03A 3mssA-3vn9A:
21.9		 3mssA-3vn9A:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		4 VAL A 110
VAL A 250
ILE A 125
ARG A 299
 None
 1.04A 3mssA-4b43A:
undetectable		 3mssA-4b43A:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 LYS A 532
VAL A 569
VAL A 592
ARG A 562
 None
 1.11A 3mssA-4bp8A:
undetectable		 3mssA-4bp8A:
18.00
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.
4fom POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 3

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 VAL A 172
VAL A 201
ILE A 228
ARG A 258
 None
 1.12A 3mssA-4fomA:
undetectable		 3mssA-4fomA:
22.73
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 1.00A 3mssA-4gi2A:
undetectable		 3mssA-4gi2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 VAL A 162
VAL A 196
ILE A 125
ARG A 170
 None
None
NAI  A 502 (-3.7A)
None
 1.08A 3mssA-4im7A:
undetectable		 3mssA-4im7A:
19.96
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.
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides) 		PF13407
(Peripla_BP_4) 		4 VAL A  72
VAL A  68
ILE A  98
ARG A  57
 None
 1.02A 3mssA-4irxA:
undetectable		 3mssA-4irxA:
21.39
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 VAL A 450
VAL A 507
ILE A 512
ARG A 492
 None
 1.01A 3mssA-4isbA:
undetectable		 3mssA-4isbA:
20.70
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.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF00092
(VWA) 		4 VAL A 225
VAL A 194
ILE A 271
ARG A 117
 None
 1.03A 3mssA-4jduA:
undetectable		 3mssA-4jduA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 VAL A 169
VAL A 139
ILE A 221
ARG A 157
 None
SO4  A 503 (-4.8A)
None
NK  A 501 ( 4.9A)
 1.06A 3mssA-4jz6A:
undetectable		 3mssA-4jz6A:
22.15
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.
4l4w ESPG3

(Mycolicibacterium
smegmatis) 		PF14011
(ESX-1_EspG) 		4 VAL A 115
VAL A 106
ILE A  72
ARG A  95
 None
 1.13A 3mssA-4l4wA:
undetectable		 3mssA-4l4wA:
25.52
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) 		5 LYS A 295
VAL A 313
VAL A 323
ILE A 336
ARG A 385
 VGG  A 601 (-3.8A)
None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
 1.11A 3mssA-4lggA:
29.6		 3mssA-4lggA:
45.73
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) 		5 VAL A 313
VAL A 323
ILE A 336
MET A 341
ARG A 385
 None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
None
 0.98A 3mssA-4lggA:
29.6		 3mssA-4lggA:
45.73
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 VAL B  57
VAL B  61
ILE B 177
MET B 153
 None
 0.79A 3mssA-4lwoB:
undetectable		 3mssA-4lwoB:
23.45
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.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Campylobacter
jejuni) 		PF00478
(IMPDH) 		4 LYS A 261
VAL A 242
VAL A 234
ILE A 260
 None
 1.00A 3mssA-4mz1A:
undetectable		 3mssA-4mz1A:
22.03
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) 		4 LYS A  37
VAL A  65
ILE A  79
ARG A 128
 None
 1.09A 3mssA-4ueuA:
32.6		 3mssA-4ueuA:
62.80
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) 		4 VAL A  65
ILE A  79
MET A  84
ARG A 128
 None
 0.94A 3mssA-4ueuA:
32.6		 3mssA-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		4 VAL A 305
ILE A 190
MET A 265
ARG A 329
 None
 0.94A 3mssA-4v0jA:
undetectable		 3mssA-4v0jA:
24.93
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 4 LYS B 290
VAL B 308
VAL B 318
ILE B 332
 1N1  B 601 (-4.6A)
None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
 0.74A 3mssA-4xeyB:
35.4		 3mssA-4xeyB:
71.50
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 4 VAL B 308
VAL B 318
ILE B 332
MET B 337
 None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
None
 0.54A 3mssA-4xeyB:
35.4		 3mssA-4xeyB:
71.50
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.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		4 VAL A 336
ILE A 218
MET A  53
ARG A  24
 None
None
C  N3384 ( 3.5A)
G  N3339 ( 2.8A)
 0.85A 3mssA-5an9A:
undetectable		 3mssA-5an9A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 LYS I 315
VAL I 345
ILE I 313
ARG I 323
 None
 0.94A 3mssA-5b04I:
undetectable		 3mssA-5b04I:
17.72
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 VAL A  70
VAL A  28
ILE A 123
ARG A  41
 None
 0.86A 3mssA-5by3A:
undetectable		 3mssA-5by3A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12

(Escherichia
coli;
Zoarces
americanus) 		PF01547
(SBP_bac_1) 		4 VAL A 375
VAL A 390
ILE A 381
ARG A 409
 None
 0.86A 3mssA-5c7rA:
undetectable		 3mssA-5c7rA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		4 VAL A 134
VAL A 125
ILE A  74
ARG A 102
 None
 1.14A 3mssA-5dlbA:
undetectable		 3mssA-5dlbA:
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 VAL A  78
VAL A  95
ILE A  87
ARG A  15
 None
 1.09A 3mssA-5j9gA:
undetectable		 3mssA-5j9gA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		4 VAL A 457
VAL A 442
ILE A 548
ARG A 486
 None
 1.02A 3mssA-5jrlA:
undetectable		 3mssA-5jrlA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		4 VAL A 313
VAL A 269
ILE A 305
ARG A 286
 None
 0.89A 3mssA-5k5tA:
undetectable		 3mssA-5k5tA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 665
ILE A 709
MET A 714
ARG A 757
 None
6P6  A1001 ( 4.5A)
None
None
 1.13A 3mssA-5l6oA:
33.0		 3mssA-5l6oA:
37.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		4 VAL A 199
VAL A 109
ILE A 193
ARG A 223
 None
 1.13A 3mssA-5m3qA:
undetectable		 3mssA-5m3qA:
19.19
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 VAL 11070
ILE 11012
MET 11112
ARG 11006
 None
 1.12A 3mssA-5mz61:
undetectable		 3mssA-5mz61:
12.17
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.
5u1h OUTER MEMBRANE PORIN
F

(Pseudomonas
aeruginosa) 		PF00691
(OmpA) 		4 VAL A 111
VAL A  85
ILE A  29
ARG A  65
 None
 1.13A 3mssA-5u1hA:
undetectable		 3mssA-5u1hA:
18.28
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.
5u7s FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Acinetobacter
baumannii) 		PF01116
(F_bP_aldolase) 		4 VAL A 139
VAL A 341
ILE A  95
ARG A 126
 None
 1.10A 3mssA-5u7sA:
undetectable		 3mssA-5u7sA:
21.56
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 4 LYS A  40
VAL A  72
ILE A  90
ARG A 137
 G93  A 301 (-3.0A)
G93  A 301 (-4.0A)
G93  A 301 ( 3.8A)
None
 0.94A 3mssA-5u94A:
19.0		 3mssA-5u94A:
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.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 VAL A 146
ILE A 214
MET A 238
ARG A 540
 None
 1.13A 3mssA-5w25A:
undetectable		 3mssA-5w25A:
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 4 VAL A 304
VAL A 383
ILE A 405
ARG A 297
 None
 0.89A 3mssA-5wlhA:
undetectable		 3mssA-5wlhA:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5woy PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Caldanaerobacter
subterraneus) 		no annotation 4 VAL A 203
VAL A 176
ILE A 159
ARG A 186
 None
 1.09A 3mssA-5woyA:
undetectable		 3mssA-5woyA:
12.20
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 VAL C 306
VAL C  92
ILE C 222
ARG C  62
 None
 0.73A 3mssA-5xw6C:
undetectable		 3mssA-5xw6C:
20.82
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 4 VAL A  78
VAL A  94
ILE A  87
ARG A  19
 None
 1.13A 3mssA-5y37A:
undetectable		 3mssA-5y37A:
12.63
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.
5zzk MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		no annotation 4 VAL A 223
VAL A 242
ILE A 231
MET A 264
 None
 1.10A 3mssA-5zzkA:
undetectable		 3mssA-5zzkA:
16.10
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 10

(Homo sapiens) 		no annotation 4 VAL B  53
VAL B  56
ILE B   3
ARG B  82
 None
 1.13A 3mssA-6c9mB:
undetectable		 3mssA-6c9mB:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4

(Homo sapiens) 		no annotation 4 LYS A 213
VAL A 246
MET A 265
ARG A 310
 CJT  A 502 (-3.0A)
None
CJT  A 502 (-4.9A)
TPO  A 345 ( 4.9A)
 1.06A 3mssA-6f3dA:
23.4		 3mssA-6f3dA:
13.82
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.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4

(Homo sapiens) 		no annotation 4 VAL A 236
VAL A 246
MET A 265
ARG A 310
 None
None
CJT  A 502 (-4.9A)
TPO  A 345 ( 4.9A)
 1.03A 3mssA-6f3dA:
23.4		 3mssA-6f3dA:
13.82
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.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 VAL g 122
VAL g 118
ILE g 227
ARG g 171
 None
 0.96A 3mssA-6fkhg:
undetectable		 3mssA-6fkhg:
11.97
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 LYS A 191
VAL A 209
VAL A 225
ILE A 239
 EAQ  A 501 (-3.2A)
None
None
None
 0.79A 3mssA-6fyoA:
21.5		 3mssA-6fyoA:
undetectable