SIMILAR PATTERNS OF AMINO ACIDS FOR 3PYY_A_STIA3

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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 ALA A 220
GLU A 236
MET A 240
THR A 266
GLY A 272
LEU A 321
 None
 0.56A 3pyyA-1k9aA:
31.0		 3pyyA-1k9aA:
30.98
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
VAL A 275
ALA A 288
GLU A 305
MET A 309
ILE A 312
THR A 334
PHE A 336
 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)
 0.53A 3pyyA-1opkA:
34.3		 3pyyA-1opkA:
59.18
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 VAL A 275
ALA A 288
GLU A 305
MET A 309
ILE A 312
THR A 334
PHE A 336
GLY A 340
LEU A 389
ALA A 399
 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 (-3.4A)
P16  A   2 (-4.4A)
P16  A   2 (-3.5A)
 0.67A 3pyyA-1opkA:
34.3		 3pyyA-1opkA:
59.18
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) 		6 ALA A 621
GLU A 640
THR A 670
GLY A 676
LEU A 799
ASP A 810
 STI  A   3 (-3.5A)
STI  A   3 (-3.6A)
STI  A   3 (-3.2A)
STI  A   3 ( 3.8A)
STI  A   3 (-4.4A)
STI  A   3 (-3.9A)
 0.47A 3pyyA-1t46A:
34.5		 3pyyA-1t46A:
35.54
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 VAL A 352
ALA A 367
GLU A 386
MET A 390
GLY A 420
LEU A 468
 STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
None
None
STU  A 100 (-3.5A)
STU  A 100 (-4.5A)
 0.53A 3pyyA-1u59A:
30.8		 3pyyA-1u59A:
37.25
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  26
VAL A  34
ALA A  47
PHE A 100
GLY A 104
LEU A 155
ASP A 166
 STU  A1301 (-4.2A)
STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
STU  A1301 (-4.5A)
STU  A1301 ( 4.0A)
STU  A1301 ( 4.8A)
None
 0.65A 3pyyA-2bujA:
23.0		 3pyyA-2bujA:
25.88
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  34
ALA A  47
GLU A  65
PHE A 100
GLY A 104
LEU A 155
ASP A 166
 STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
None
STU  A1301 (-4.5A)
STU  A1301 ( 4.0A)
STU  A1301 ( 4.8A)
None
 0.78A 3pyyA-2bujA:
23.0		 3pyyA-2bujA:
25.88
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) 		7 ALA X  37
GLU X  54
MET X  58
THR X  82
GLY X  88
LEU X 137
ALA X 147
 STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
None
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
STU  X 902 ( 4.1A)
 0.70A 3pyyA-2dq7X:
32.3		 3pyyA-2dq7X:
43.48
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) 		6 LEU X  17
VAL X  25
ALA X  37
GLU X  54
MET X  58
THR X  82
 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)
 0.39A 3pyyA-2dq7X:
32.3		 3pyyA-2dq7X:
43.48
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) 		6 VAL X  25
ALA X  37
GLU X  54
MET X  58
THR X  82
GLY X  88
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
None
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
 0.57A 3pyyA-2dq7X:
32.3		 3pyyA-2dq7X:
43.48
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.
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
GLY A 240
ALA A 319
 None
 0.71A 3pyyA-2eu9A:
21.4		 3pyyA-2eu9A:
23.53
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 170
ALA A 184
GLU A 201
ILE A 208
GLY A 240
LEU A 290
ALA A 319
 None
 1.02A 3pyyA-2eu9A:
21.4		 3pyyA-2eu9A:
23.53
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
GLU A 678
MET A 682
PHE A 709
ASP A 772
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
ADP  A 400 ( 4.9A)
None
None
ADP  A 400 ( 4.8A)
 0.80A 3pyyA-2henA:
26.3		 3pyyA-2henA:
39.73
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
MET A 682
THR A 707
PHE A 709
ASP A 772
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
None
ADP  A 400 (-4.7A)
None
ADP  A 400 ( 4.8A)
 0.79A 3pyyA-2henA:
26.3		 3pyyA-2henA:
39.73
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) 		6 ALA A 271
MET A 292
THR A 316
PHE A 318
ALA A 381
ASP A 382
 1BM  A 499 (-3.6A)
1BM  A 499 ( 3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-4.1A)
1BM  A 499 ( 3.7A)
1BM  A 499 (-4.4A)
 0.75A 3pyyA-2hk5A:
27.6		 3pyyA-2hk5A:
45.05
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) 		7 ALA A 271
MET A 292
THR A 316
PHE A 318
GLY A 322
LEU A 371
ALA A 381
 1BM  A 499 (-3.6A)
1BM  A 499 ( 3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-4.1A)
1BM  A 499 (-3.5A)
1BM  A 499 (-4.4A)
1BM  A 499 ( 3.7A)
 0.76A 3pyyA-2hk5A:
27.6		 3pyyA-2hk5A:
45.05
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) 		6 VAL A 259
ALA A 271
GLU A 288
MET A 292
THR A 316
PHE A 318
 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)
 0.41A 3pyyA-2hk5A:
27.6		 3pyyA-2hk5A:
45.05
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) 		6 VAL A 259
ALA A 271
MET A 292
THR A 316
PHE A 318
ALA A 381
 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 ( 3.7A)
 0.80A 3pyyA-2hk5A:
27.6		 3pyyA-2hk5A:
45.05
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
GLY A 321
LEU A 370
ALA A 380
 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)
None
GIN  A 600 (-4.7A)
GIN  A 600 (-3.1A)
 0.44A 3pyyA-2hz0A:
34.0		 3pyyA-2hz0A:
95.05
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) 		8 GLU A 286
MET A 290
ILE A 293
THR A 315
PHE A 317
GLY A 321
ALA A 380
ASP A 381
 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)
None
GIN  A 600 (-3.1A)
GIN  A 600 (-4.9A)
 0.65A 3pyyA-2hz0A:
34.0		 3pyyA-2hz0A:
95.05
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) 		8 LEU A 248
VAL A 256
ALA A 269
GLU A 286
MET A 290
ILE A 293
THR A 315
PHE A 317
 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)
 0.56A 3pyyA-2hz0A:
34.0		 3pyyA-2hz0A:
95.05
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) 		8 VAL A 256
ALA A 269
GLU A 286
MET A 290
ILE A 293
THR A 315
PHE A 317
GLY A 321
 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)
None
 0.54A 3pyyA-2hz0A:
34.0		 3pyyA-2hz0A:
95.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.76A 3pyyA-2jgzA:
16.6		 3pyyA-2jgzA:
28.57
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) 		10 LEU A 251
VAL A 259
ALA A 271
GLU A 288
MET A 292
THR A 316
GLY A 322
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 ( 3.5A)
1N8  A 501 ( 4.3A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.3A)
 0.58A 3pyyA-2og8A:
32.7		 3pyyA-2og8A:
45.77
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) 		6 ALA A 614
GLU A 633
MET A 637
THR A 663
GLY A 669
ASP A 796
 None
 0.77A 3pyyA-2ogvA:
32.8		 3pyyA-2ogvA:
36.75
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) 		6 ALA A 614
GLU A 633
MET A 637
THR A 663
GLY A 669
LEU A 785
 None
 0.68A 3pyyA-2ogvA:
32.8		 3pyyA-2ogvA:
36.75
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) 		6 LEU A 588
VAL A 596
ALA A 614
GLU A 633
MET A 637
THR A 663
 None
 0.75A 3pyyA-2ogvA:
32.8		 3pyyA-2ogvA:
36.75
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) 		6 VAL A 596
ALA A 614
GLU A 633
MET A 637
THR A 663
GLY A 669
 None
 0.79A 3pyyA-2ogvA:
32.8		 3pyyA-2ogvA:
36.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4i ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 838
ALA A 853
GLY A 908
LEU A 971
ALA A 981
ASP A 982
 MR9  A 301 (-4.6A)
MR9  A 301 (-3.5A)
MR9  A 301 ( 3.8A)
MR9  A 301 (-4.5A)
MR9  A 301 (-3.2A)
MR9  A 301 (-4.2A)
 0.30A 3pyyA-2p4iA:
24.0		 3pyyA-2p4iA:
36.36
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) 		6 ALA A 515
MET A 538
ILE A 541
GLY A 570
LEU A 633
ALA A 643
 None
 0.58A 3pyyA-2psqA:
26.6		 3pyyA-2psqA:
36.70
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) 		7 LEU A 487
VAL A 495
ALA A 515
GLU A 534
MET A 538
ILE A 541
ALA A 643
 None
 0.55A 3pyyA-2psqA:
26.6		 3pyyA-2psqA:
36.70
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) 		6 VAL A 495
ALA A 515
MET A 538
ILE A 541
GLY A 570
ALA A 643
 None
 0.64A 3pyyA-2psqA:
26.6		 3pyyA-2psqA:
36.70
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.42A 3pyyA-2qluA:
24.5		 3pyyA-2qluA:
27.54
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 3pyyA-2qobA:
26.7		 3pyyA-2qobA:
34.08
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) 		6 LEU A 253
VAL A 261
ALA A 273
GLU A 290
PHE A 321
ASP A 385
 None
 1.07A 3pyyA-2zv7A:
26.3		 3pyyA-2zv7A:
43.62
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) 		6 VAL A 261
ALA A 273
MET A 294
THR A 319
PHE A 321
ASP A 385
 None
 1.06A 3pyyA-2zv7A:
26.3		 3pyyA-2zv7A:
43.62
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) 		6 VAL A 261
ALA A 273
THR A 319
PHE A 321
ALA A 384
ASP A 385
 None
 0.69A 3pyyA-2zv7A:
26.3		 3pyyA-2zv7A:
43.62
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
ALA A 515
MET A 538
GLY A 570
LEU A 633
ALA A 643
 M33  A1996 (-4.0A)
M33  A1996 (-3.3A)
None
M33  A1996 ( 4.8A)
M33  A1996 (-4.5A)
None
 0.78A 3pyyA-3b2tA:
25.8		 3pyyA-3b2tA:
39.62
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
MET A 538
ILE A 541
GLY A 570
LEU A 633
ALA A 643
 M33  A1996 (-4.0A)
None
None
M33  A1996 ( 4.8A)
M33  A1996 (-4.5A)
None
 0.86A 3pyyA-3b2tA:
25.8		 3pyyA-3b2tA:
39.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 484
VAL A 492
ALA A 512
GLU A 531
GLY A 567
ALA A 640
 C4F  A   1 ( 3.9A)
None
C4F  A   1 (-3.3A)
None
None
C4F  A   1 (-3.6A)
 0.70A 3pyyA-3c4fA:
31.8		 3pyyA-3c4fA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 484
VAL A 492
ALA A 512
MET A 535
GLY A 567
ALA A 640
 C4F  A   1 ( 3.9A)
None
C4F  A   1 (-3.3A)
C4F  A   1 ( 3.7A)
None
C4F  A   1 (-3.6A)
 0.72A 3pyyA-3c4fA:
31.8		 3pyyA-3c4fA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 492
ALA A 512
GLU A 531
GLY A 567
LEU A 630
ALA A 640
 None
C4F  A   1 (-3.3A)
None
None
C4F  A   1 (-4.6A)
C4F  A   1 (-3.6A)
 0.58A 3pyyA-3c4fA:
31.8		 3pyyA-3c4fA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 492
ALA A 512
MET A 535
GLY A 567
LEU A 630
ALA A 640
 None
C4F  A   1 (-3.3A)
C4F  A   1 ( 3.7A)
None
C4F  A   1 (-4.6A)
C4F  A   1 (-3.6A)
 0.60A 3pyyA-3c4fA:
31.8		 3pyyA-3c4fA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 220
GLU A 236
MET A 240
THR A 266
GLY A 272
LEU A 321
 None
 0.56A 3pyyA-3d7uA:
27.1		 3pyyA-3d7uA:
42.81
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)
 0.73A 3pyyA-3dkoA:
31.7		 3pyyA-3dkoA:
36.84
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
PHE A 713
GLY A 717
LEU A 765
ASP A 776
 IHZ  A1001 ( 4.4A)
IHZ  A1001 (-3.3A)
None
IHZ  A1001 ( 3.9A)
IHZ  A1001 (-4.6A)
IHZ  A1001 (-4.8A)
 0.93A 3pyyA-3dkoA:
31.7		 3pyyA-3dkoA:
36.84
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.
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)
 0.71A 3pyyA-3eb0A:
21.4		 3pyyA-3eb0A:
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.
3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		6 VAL A  67
ALA A  80
MET A 104
GLY A 135
LEU A 182
ALA A 192
 None
 0.66A 3pyyA-3iecA:
22.5		 3pyyA-3iecA:
26.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 ALA A 665
GLU A 684
MET A 688
THR A 713
GLY A 719
LEU A 767
 None
None
None
None
GOL  A 403 (-3.4A)
None
 0.57A 3pyyA-3kulA:
32.2		 3pyyA-3kulA:
37.61
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
MET A 688
THR A 713
GLY A 719
LEU A 767
 None
None
None
None
GOL  A 403 (-3.4A)
None
 0.69A 3pyyA-3kulA:
32.2		 3pyyA-3kulA:
37.61
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.
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
 0.72A 3pyyA-3mi9A:
22.4		 3pyyA-3mi9A:
25.79
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  88
VAL A  96
ALA A 109
GLU A 130
MET A 134
GLY A 165
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-3.1A)
None
None
 0.70A 3pyyA-3nuuA:
22.6		 3pyyA-3nuuA:
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  96
ALA A 109
GLU A 130
MET A 134
GLY A 165
LEU A 212
 JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-3.1A)
None
None
None
 0.63A 3pyyA-3nuuA:
22.6		 3pyyA-3nuuA:
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A 217
THR A 267
PHE A 269
GLY A 273
LEU A 329
ALA A 339
 TAK  A   2 (-3.5A)
TAK  A   2 (-3.5A)
TAK  A   2 (-4.3A)
TAK  A   2 (-3.6A)
TAK  A   2 (-4.6A)
TAK  A   2 ( 4.2A)
 0.40A 3pyyA-3q4tA:
23.7		 3pyyA-3q4tA:
27.35
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 VAL A  71
ALA A  84
GLU A 115
THR A 144
PHE A 146
LEU A 197
 ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
ANP  A1634 (-4.6A)
ANP  A1634 (-4.8A)
ANP  A1634 (-4.4A)
 0.86A 3pyyA-3q5iA:
20.2		 3pyyA-3q5iA:
23.81
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) 		6 LEU A 484
VAL A 492
ALA A 512
GLU A 531
MET A 535
GLY A 567
 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)
07J  A   1 (-3.7A)
 0.70A 3pyyA-3tt0A:
31.3		 3pyyA-3tt0A:
37.08
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) 		7 VAL A 492
ALA A 512
GLU A 531
MET A 535
GLY A 567
LEU A 630
ALA A 640
 07J  A   1 (-4.0A)
07J  A   1 (-3.5A)
07J  A   1 (-3.8A)
07J  A   1 (-3.8A)
07J  A   1 (-3.7A)
07J  A   1 ( 4.4A)
07J  A   1 (-3.2A)
 0.62A 3pyyA-3tt0A:
31.3		 3pyyA-3tt0A:
37.08
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) 		6 ALA A 866
GLU A 885
ILE A 892
PHE A 918
LEU A1035
ASP A1046
 4TT  A2001 (-3.5A)
None
None
4TT  A2001 (-4.5A)
4TT  A2001 (-4.8A)
None
 0.84A 3pyyA-3vidA:
31.1		 3pyyA-3vidA:
34.13
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) 		6 ALA A 866
GLU A 885
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 4TT  A2001 (-3.5A)
None
4TT  A2001 (-4.5A)
4TT  A2001 (-3.7A)
4TT  A2001 (-4.8A)
None
 0.68A 3pyyA-3vidA:
31.1		 3pyyA-3vidA:
34.13
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) 		6 LEU A 840
VAL A 848
ALA A 866
GLU A 885
PHE A 918
GLY A 922
 4TT  A2001 ( 4.0A)
4TT  A2001 ( 4.5A)
4TT  A2001 (-3.5A)
None
4TT  A2001 (-4.5A)
4TT  A2001 (-3.7A)
 0.77A 3pyyA-3vidA:
31.1		 3pyyA-3vidA:
34.13
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) 		6 VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
ASP A1046
 4TT  A2001 ( 4.5A)
4TT  A2001 (-3.5A)
None
None
4TT  A2001 (-4.5A)
None
 0.72A 3pyyA-3vidA:
31.1		 3pyyA-3vidA:
34.13
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) 		6 VAL A 848
ALA A 866
GLU A 885
PHE A 918
GLY A 922
ASP A1046
 4TT  A2001 ( 4.5A)
4TT  A2001 (-3.5A)
None
4TT  A2001 (-4.5A)
4TT  A2001 (-3.7A)
None
 0.70A 3pyyA-3vidA:
31.1		 3pyyA-3vidA:
34.13
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
PHE A 918
GLY A 922
LEU A1035
 LEV  A1201 ( 3.8A)
LEV  A1201 ( 4.9A)
LEV  A1201 (-3.5A)
LEV  A1201 (-3.7A)
LEV  A1201 (-4.7A)
LEV  A1201 (-3.6A)
LEV  A1201 (-4.8A)
 0.80A 3pyyA-3wzdA:
25.9		 3pyyA-3wzdA:
37.31
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
 0.67A 3pyyA-3zfxA:
32.0		 3pyyA-3zfxA:
40.80
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) 		6 ALA A 866
GLU A 885
ILE A 892
PHE A 918
GLY A 922
LEU A1035
 B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
 0.83A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 866
ILE A 892
PHE A 918
GLY A 922
LEU A1035
ASP A1046
 B49  A2000 (-3.5A)
None
B49  A2000 (-4.4A)
B49  A2000 ( 3.7A)
B49  A2000 (-4.5A)
None
 0.68A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 840
VAL A 848
ALA A 866
GLU A 885
ILE A 892
PHE A 918
 B49  A2000 (-3.7A)
None
B49  A2000 (-3.5A)
None
None
B49  A2000 (-4.4A)
 0.81A 3pyyA-4agdA:
33.5		 3pyyA-4agdA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.68A 3pyyA-4aw5A:
27.1		 3pyyA-4aw5A:
37.83
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.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  42
VAL A  50
ALA A  63
PHE A 112
GLY A 116
ALA A 174
 XZN  A1317 (-3.6A)
XZN  A1317 ( 4.7A)
XZN  A1317 (-3.5A)
XZN  A1317 (-4.5A)
XZN  A1317 ( 3.7A)
XZN  A1317 ( 4.3A)
 0.74A 3pyyA-4bc6A:
21.8		 3pyyA-4bc6A:
29.72
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.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  50
ALA A  63
GLU A  81
GLY A 116
LEU A 164
ALA A 174
 XZN  A1317 ( 4.7A)
XZN  A1317 (-3.5A)
XZN  A1317 (-3.9A)
XZN  A1317 ( 3.7A)
XZN  A1317 (-4.7A)
XZN  A1317 ( 4.3A)
 0.75A 3pyyA-4bc6A:
21.8		 3pyyA-4bc6A:
29.72
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.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  50
ALA A  63
GLU A  81
PHE A 112
GLY A 116
ALA A 174
 XZN  A1317 ( 4.7A)
XZN  A1317 (-3.5A)
XZN  A1317 (-3.9A)
XZN  A1317 (-4.5A)
XZN  A1317 ( 3.7A)
XZN  A1317 ( 4.3A)
 0.76A 3pyyA-4bc6A:
21.8		 3pyyA-4bc6A:
29.72
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) 		7 LEU A 616
VAL A 624
ALA A 653
GLU A 672
THR A 701
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 (-3.7A)
DI1  A1000 (-4.1A)
 0.43A 3pyyA-4ckrA:
32.9		 3pyyA-4ckrA:
36.01
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 VAL A 624
ALA A 653
GLU A 672
MET A 676
THR A 701
GLY A 707
LEU A 773
ALA A 783
ASP A 784
 DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.6A)
None
DI1  A1000 (-4.5A)
DI1  A1000 (-3.7A)
DI1  A1000 (-4.1A)
 0.63A 3pyyA-4ckrA:
32.9		 3pyyA-4ckrA:
36.01
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 VAL A 671
ALA A 684
GLU A 705
GLY A 743
LEU A 789
ALA A 799
 AGS  A1985 (-4.6A)
AGS  A1985 (-3.5A)
None
None
AGS  A1985 (-4.8A)
AGS  A1985 ( 4.5A)
 0.82A 3pyyA-4crsA:
20.4		 3pyyA-4crsA:
26.52
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.78A 3pyyA-4eutA:
12.3		 3pyyA-4eutA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.9A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.3A)
 0.77A 3pyyA-4euuA:
21.2		 3pyyA-4euuA:
23.17
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) 		6 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
 0.89A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
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) 		6 ALA A 506
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.70A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
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) 		6 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.80A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
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) 		6 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
 0.62A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
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
 1.08A 3pyyA-4ueuA:
32.8		 3pyyA-4ueuA:
61.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		6 VAL A 335
ALA A 348
GLU A 366
PHE A 397
GLY A 401
LEU A 447
 ATP  A 601 (-4.4A)
ATP  A 601 ( 3.7A)
ATP  A 601 ( 3.7A)
ATP  A 601 (-4.6A)
None
None
 0.78A 3pyyA-4xbrA:
16.7		 3pyyA-4xbrA:
19.74
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
GLY A 556
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)
40M  A1002 ( 3.7A)
40M  A1002 (-4.5A)
40M  A1002 (-3.0A)
 0.62A 3pyyA-4xcuA:
31.9		 3pyyA-4xcuA:
39.16
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 8 ALA B 288
MET B 309
ILE B 312
THR B 334
PHE B 336
GLY B 340
LEU B 389
ALA B 399
 1N1  B 601 (-3.5A)
1N1  B 601 (-3.7A)
None
1N1  B 601 (-3.3A)
1N1  B 601 ( 4.2A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.3A)
1N1  B 601 (-3.5A)
 0.57A 3pyyA-4xeyB:
29.9		 3pyyA-4xeyB:
73.05
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 7 VAL B 275
ALA B 288
MET B 309
ILE B 312
THR B 334
PHE B 336
ALA B 399
 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 (-3.5A)
 0.70A 3pyyA-4xeyB:
29.9		 3pyyA-4xeyB:
73.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 477
ALA A 488
GLU A 509
THR A 539
GLY A 545
LEU A 595
ALA A 605
 None
4CV  A 801 (-3.5A)
None
4CV  A 801 (-2.8A)
4CV  A 801 ( 4.0A)
4CV  A 801 (-4.4A)
4CV  A 801 ( 3.9A)
 0.71A 3pyyA-4yffA:
20.3		 3pyyA-4yffA:
28.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 484
VAL A 492
ALA A 512
GLU A 531
MET A 535
GLY A 567
ALA A 640
 38O  A1769 (-3.2A)
38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
EDO  A1766 (-4.1A)
EDO  A1766 (-3.5A)
38O  A1769 (-3.4A)
EDO  A1766 ( 4.4A)
 0.72A 3pyyA-5a46A:
31.2		 3pyyA-5a46A:
35.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  39
ALA A  52
GLU A  69
PHE A 107
GLY A 111
LEU A 160
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
GLU  A  69 ( 0.6A)
PHE  A 107 ( 1.3A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
 0.84A 3pyyA-5d7aA:
23.9		 3pyyA-5d7aA:
25.64
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		6 LEU A  99
ALA A 120
PHE A 172
GLY A 176
LEU A 223
ALA A 233
 5U5  A 401 (-3.8A)
5U5  A 401 (-3.5A)
5U5  A 401 (-4.5A)
5U5  A 401 (-3.4A)
5U5  A 401 (-4.7A)
None
 0.86A 3pyyA-5eykA:
17.6		 3pyyA-5eykA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		6 LEU A  99
VAL A 107
ALA A 120
PHE A 172
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)
None
None
 0.60A 3pyyA-5eykA:
17.6		 3pyyA-5eykA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		6 LEU A  99
VAL A 107
ALA A 120
PHE A 172
GLY A 176
ALA A 233
 5U5  A 401 (-3.8A)
5U5  A 401 ( 4.3A)
5U5  A 401 (-3.5A)
5U5  A 401 (-4.5A)
5U5  A 401 (-3.4A)
None
 0.79A 3pyyA-5eykA:
17.6		 3pyyA-5eykA:
24.01
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) 		7 ALA A 625
GLU A 644
MET A 648
THR A 674
GLY A 680
LEU A 825
ASP A 836
 748  A1001 (-3.7A)
748  A1001 (-3.3A)
748  A1001 (-3.4A)
748  A1001 (-3.2A)
748  A1001 ( 4.0A)
748  A1001 (-4.3A)
748  A1001 (-4.8A)
 0.59A 3pyyA-5grnA:
29.6		 3pyyA-5grnA:
35.20
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) 		7 LEU A 599
VAL A 607
ALA A 625
GLU A 644
MET A 648
THR A 674
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 (-4.8A)
 0.81A 3pyyA-5grnA:
29.6		 3pyyA-5grnA:
35.20
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) 		7 VAL A 607
ALA A 625
GLU A 644
MET A 648
THR A 674
GLY A 680
ASP A 836
 748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-3.3A)
748  A1001 (-3.4A)
748  A1001 (-3.2A)
748  A1001 ( 4.0A)
748  A1001 (-4.8A)
 0.71A 3pyyA-5grnA:
29.6		 3pyyA-5grnA:
35.20
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		7 ALA A  43
GLU A  61
MET A  65
PHE A  92
GLY A  96
LEU A 143
ALA A 153
 6G2  A 901 (-3.2A)
None
None
6G2  A 901 (-4.1A)
6G2  A 901 (-3.6A)
6G2  A 901 (-4.7A)
6G2  A 901 ( 4.2A)
 0.63A 3pyyA-5j5tA:
21.3		 3pyyA-5j5tA:
24.31
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
 IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
 0.93A 3pyyA-5kbrA:
22.0		 3pyyA-5kbrA:
24.76
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) 		6 VAL A 647
ALA A 663
THR A 711
PHE A 713
LEU A 765
ASP A 776
 None
6P6  A1001 (-3.3A)
6P6  A1001 (-3.5A)
6P6  A1001 ( 4.5A)
6P6  A1001 (-4.5A)
None
 0.78A 3pyyA-5l6oA:
33.6		 3pyyA-5l6oA:
38.33
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.
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A 116
VAL A 124
ALA A 137
GLU A 157
THR A 187
GLY A 191
 H8H  A 401 (-3.7A)
H8H  A 401 (-4.7A)
H8H  A 401 (-3.3A)
None
H8H  A 401 (-3.5A)
H8H  A 401 (-4.4A)
 0.75A 3pyyA-5vcxA:
18.1		 3pyyA-5vcxA:
26.01
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.
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		no annotation 6 LEU A  24
ALA A  45
THR A  95
GLY A 101
LEU A 153
ALA A 163
 9WS  A 401 ( 4.2A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
9WS  A 401 ( 4.3A)
9WS  A 401 (-4.6A)
9WS  A 401 ( 4.0A)
 0.57A 3pyyA-5w5jA:
19.8		 3pyyA-5w5jA:
28.01
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 6 LEU A 891
VAL A 899
ALA A 917
THR A 963
GLY A 969
LEU A1017
 ANP  A1201 (-4.1A)
ANP  A1201 (-4.4A)
ANP  A1201 (-3.3A)
ANP  A1201 (-3.9A)
ANP  A1201 ( 4.6A)
ANP  A1201 (-4.7A)
 0.69A 3pyyA-5wnoA:
28.1		 3pyyA-5wnoA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxd PROTEIN (OSMOLARITY
SENSOR PROTEIN
(ENVZ))

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 VAL A 346
VAL A 371
ILE A 319
ARG A 339
 None
 1.02A 3pyyA-1bxdA:
undetectable		 3pyyA-1bxdA:
18.79
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.
1ehw NUCLEOSIDE
DIPHOSPHATE KINASE

(Homo sapiens) 		PF00334
(NDK) 		4 VAL A   9
VAL A  36
ILE A 130
ARG A  31
 None
 1.10A 3pyyA-1ehwA:
undetectable		 3pyyA-1ehwA:
23.93
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.
1ep2 DIHYDROOROTATE
DEHYDROGENASE B
(PYRK SUBUNIT)

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		4 TYR B  71
VAL B  30
VAL B  94
ILE B  57
 None
 1.09A 3pyyA-1ep2B:
undetectable		 3pyyA-1ep2B:
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.
1exz STEM CELL FACTOR

(Homo sapiens) 		PF02404
(SCF) 		4 VAL A  15
VAL A  83
ILE A  76
ARG A 117
 None
 0.91A 3pyyA-1exzA:
undetectable		 3pyyA-1exzA:
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 TYR A 306
VAL A 276
VAL A 314
ILE A 362
 None
 1.10A 3pyyA-1fcdA:
undetectable		 3pyyA-1fcdA:
19.51
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 VAL A 316
VAL A 325
ILE A 303
ARG A 285
 None
 0.93A 3pyyA-1gq1A:
undetectable		 3pyyA-1gq1A:
20.04
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.
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
 1.00A 3pyyA-1gxtA:
undetectable		 3pyyA-1gxtA:
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 VAL A 298
VAL A 307
ILE A 285
ARG A 267
 None
 0.91A 3pyyA-1hzvA:
undetectable		 3pyyA-1hzvA:
19.10
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 VAL A  89
VAL A 371
ILE A  13
ARG A  30
 None
 1.01A 3pyyA-1jaeA:
undetectable		 3pyyA-1jaeA:
20.58
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 VAL A  91
VAL A 390
ILE A  13
ARG A  30
 None
 1.03A 3pyyA-1jxkA:
undetectable		 3pyyA-1jxkA:
18.04
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.
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
 0.94A 3pyyA-1k1eA:
undetectable		 3pyyA-1k1eA:
21.94
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
 1.39A 3pyyA-1k9aA:
31.0		 3pyyA-1k9aA:
30.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 TYR A  11
VAL A  40
VAL A 155
ILE A  18
 None
 1.09A 3pyyA-1kq3A:
undetectable		 3pyyA-1kq3A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		4 TYR A 208
VAL A  38
ILE A 172
ARG A  29
 None
 1.00A 3pyyA-1l6rA:
undetectable		 3pyyA-1l6rA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nbq JUNCTIONAL ADHESION
MOLECULE 1

(Homo sapiens) 		PF07686
(V-set)
PF13927
(Ig_3) 		4 LYS A  47
VAL A  60
VAL A 122
ILE A  94
 None
 1.10A 3pyyA-1nbqA:
undetectable		 3pyyA-1nbqA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 3pyyA-1nxkA:
19.4		 3pyyA-1nxkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		4 VAL A 193
VAL A 154
ILE A 210
ARG A 181
 None
 1.05A 3pyyA-1o9gA:
undetectable		 3pyyA-1o9gA:
21.45
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
 1.02A 3pyyA-1opkA:
34.3		 3pyyA-1opkA:
59.18
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) 		5 TYR A 272
LYS A 290
VAL A 308
VAL A 318
ILE A 332
 P16  A   2 (-3.6A)
P16  A   2 (-4.5A)
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
 0.92A 3pyyA-1opkA:
34.3		 3pyyA-1opkA:
59.18
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 TYR A 449
VAL A 401
ILE A 427
ARG A 392
 None
 1.11A 3pyyA-1oseA:
undetectable		 3pyyA-1oseA:
19.02
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 VAL A  91
VAL A 395
ILE A  13
ARG A  30
 None
 1.10A 3pyyA-1oseA:
undetectable		 3pyyA-1oseA:
19.02
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.
1otk PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAC

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		4 VAL A 106
VAL A 200
ILE A 101
ARG A 136
 None
 1.10A 3pyyA-1otkA:
undetectable		 3pyyA-1otkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pmj BETA-1,4-MANNANASE

(Caldicellulosiruptor
saccharolyticus) 		PF09212
(CBM27) 		4 TYR X 105
VAL X  16
VAL X 178
ARG X  49
 None
 1.05A 3pyyA-1pmjX:
undetectable		 3pyyA-1pmjX:
20.74
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.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		4 VAL A 282
VAL A 512
ILE A 241
ARG A 324
 None
 0.95A 3pyyA-1qhbA:
undetectable		 3pyyA-1qhbA:
18.78
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 TYR A 194
VAL A 205
VAL A 201
ILE A 175
 None
 1.06A 3pyyA-1qnlA:
undetectable		 3pyyA-1qnlA:
22.95
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.
1qrz PLASMINOGEN

(Homo sapiens) 		PF00089
(Trypsin) 		4 TYR A 614
VAL A 630
VAL A 577
ILE A 633
 None
 1.08A 3pyyA-1qrzA:
undetectable		 3pyyA-1qrzA:
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.
1t2w SORTASE

(Staphylococcus
aureus) 		PF04203
(Sortase) 		4 TYR A 153
VAL A  87
ILE A  83
ARG A 197
 None
None
None
GLU  A 333 ( 3.8A)
 0.92A 3pyyA-1t2wA:
undetectable		 3pyyA-1t2wA:
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.
1vaj HYPOTHETICAL PROTEIN
PH0010

(Pyrococcus
horikoshii) 		PF01871
(AMMECR1) 		4 LYS A 203
VAL A  14
ILE A 190
ARG A  53
 None
 0.91A 3pyyA-1vajA:
undetectable		 3pyyA-1vajA:
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 VAL 1 348
VAL 1 445
ILE 1 267
ARG 1 470
 None
 1.08A 3pyyA-1wao1:
undetectable		 3pyyA-1wao1:
20.46
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.
1wmi HYPOTHETICAL PROTEIN
PHS013

(Pyrococcus
horikoshii) 		PF05016
(ParE_toxin) 		4 TYR A  35
VAL A  66
VAL A   5
ARG A  25
 None
 1.11A 3pyyA-1wmiA:
undetectable		 3pyyA-1wmiA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		4 VAL A 178
VAL A 170
ILE A 262
ARG A  26
 None
 0.96A 3pyyA-1ywfA:
undetectable		 3pyyA-1ywfA:
21.15
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.
2e18 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pyrococcus
horikoshii) 		PF02540
(NAD_synthase) 		4 TYR A  40
VAL A 126
VAL A  51
ARG A 111
 None
 1.02A 3pyyA-2e18A:
undetectable		 3pyyA-2e18A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e87 HYPOTHETICAL PROTEIN
PH1320

(Pyrococcus
horikoshii) 		PF06858
(NOG1) 		4 VAL A 171
VAL A 163
ILE A 204
ARG A 244
 None
 1.05A 3pyyA-2e87A:
undetectable		 3pyyA-2e87A:
20.05
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) 		5 LYS A 273
VAL A 291
VAL A 301
ILE A 314
ARG A 363
 1BM  A 499 (-3.8A)
None
None
1BM  A 499 (-3.9A)
None
 1.13A 3pyyA-2hk5A:
27.6		 3pyyA-2hk5A:
45.05
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) 		4 VAL A 289
VAL A 299
ILE A 313
ARG A 362
 None
GIN  A 600 (-4.6A)
GIN  A 600 (-3.8A)
None
 1.07A 3pyyA-2hz0A:
34.0		 3pyyA-2hz0A:
95.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3pyyA-2q27A:
undetectable		 3pyyA-2q27A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y5w KINESIN HEAVY CHAIN

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 VAL A 214
VAL A 139
ILE A 115
ARG A 150
 None
 1.01A 3pyyA-2y5wA:
undetectable		 3pyyA-2y5wA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 328
VAL A 351
ILE A 331
ARG A 385
 None
None
None
SO4  A 656 (-3.9A)
 1.09A 3pyyA-3af5A:
undetectable		 3pyyA-3af5A:
18.02
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		4 VAL A 192
VAL A 181
ILE A 165
ARG A 227
 None
 1.11A 3pyyA-3cz8A:
undetectable		 3pyyA-3cz8A:
19.65
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
 1.39A 3pyyA-3d7uA:
27.1		 3pyyA-3d7uA:
42.81
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 VAL C1602
VAL C1647
ILE C1582
ARG C1632
 None
 0.84A 3pyyA-3dqvC:
undetectable		 3pyyA-3dqvC:
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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		4 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 1.11A 3pyyA-3ffsA:
undetectable		 3pyyA-3ffsA:
24.45
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.
3fkh PUTATIVE
PYRIDOXAMINE
5'-PHOSPHATE OXIDASE

(Corynebacterium
glutamicum) 		PF12900
(Pyridox_ox_2) 		4 TYR A 115
VAL A  27
VAL A  38
ILE A 118
 None
 1.09A 3pyyA-3fkhA:
undetectable		 3pyyA-3fkhA:
17.02
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.
3g5j PUTATIVE ATP/GTP
BINDING PROTEIN

(Clostridioides
difficile) 		PF00581
(Rhodanese) 		4 TYR A 124
VAL A 114
VAL A  15
ILE A   4
 None
 0.92A 3pyyA-3g5jA:
undetectable		 3pyyA-3g5jA:
19.38
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.
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
 0.93A 3pyyA-3gkuA:
undetectable		 3pyyA-3gkuA:
23.99
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.
3hpm PRKCA-BINDING
PROTEIN,9-MER
PEPTIDE OF THE GLUR2
SUBUNIT

(Rattus
norvegicus;
synthetic
construct) 		PF00595
(PDZ) 		4 TYR A  48
VAL A  97
ILE A  35
ARG A  76
 None
 1.08A 3pyyA-3hpmA:
undetectable		 3pyyA-3hpmA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 3pyyA-3j8gX:
undetectable		 3pyyA-3j8gX:
21.60
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		4 VAL A  69
VAL A  24
ILE A 131
ARG A  64
 None
 1.09A 3pyyA-3kq5A:
undetectable		 3pyyA-3kq5A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 VAL A 199
VAL A 174
ILE A 115
ARG A 230
 None
 0.95A 3pyyA-3mcxA:
undetectable		 3pyyA-3mcxA:
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		4 VAL A 291
VAL A 315
ILE A 308
ARG A 330
 None
 1.01A 3pyyA-3nowA:
undetectable		 3pyyA-3nowA:
17.22
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		4 TYR A 245
VAL A  51
VAL A  24
ILE A  35
 None
 1.04A 3pyyA-3nz4A:
undetectable		 3pyyA-3nz4A:
18.22
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)
 0.87A 3pyyA-3ppzA:
28.6		 3pyyA-3ppzA:
36.74
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.
3qdt BOLETUS EDULIS
LECTIN

(Boletus edulis) 		PF07367
(FB_lectin) 		4 TYR A  96
VAL A 130
VAL A 125
ILE A   4
 None
 1.04A 3pyyA-3qdtA:
undetectable		 3pyyA-3qdtA:
20.35
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.
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
 1.07A 3pyyA-3sheA:
18.6		 3pyyA-3sheA:
24.19
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 TYR X 124
VAL X 186
ILE X 236
ARG X 181
 None
 1.11A 3pyyA-3ss7X:
undetectable		 3pyyA-3ss7X:
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.
3t1p ALPHA-1-ANTITRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 TYR A  38
VAL A 333
VAL A 302
ILE A  57
 None
 1.02A 3pyyA-3t1pA:
undetectable		 3pyyA-3t1pA:
21.58
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		4 VAL A 608
VAL A 771
ILE A 557
ARG A 694
 None
 1.10A 3pyyA-3wajA:
undetectable		 3pyyA-3wajA:
15.30
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		4 TYR A 149
VAL A  41
ILE A  96
ARG A  73
 None
 1.04A 3pyyA-3zbmA:
undetectable		 3pyyA-3zbmA:
19.22
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.
4a5p PROTEIN MXIA

(Shigella
flexneri) 		PF00771
(FHIPEP) 		4 TYR A 671
VAL A 644
ILE A 579
ARG A 657
 None
MLY  A 590 ( 4.3A)
None
None
 1.01A 3pyyA-4a5pA:
undetectable		 3pyyA-4a5pA:
23.00
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  91
VAL A 123
ILE A 137
ARG A 184
 None
9ZP  A1333 (-4.4A)
None
None
 1.08A 3pyyA-4b6lA:
22.5		 3pyyA-4b6lA:
24.84
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.
4bqb NEOGENIN

(Mus musculus) 		PF00041
(fn3) 		4 TYR A1060
VAL A 994
ILE A1023
ARG A1002
 None
 1.08A 3pyyA-4bqbA:
undetectable		 3pyyA-4bqbA:
19.94
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.
4de8 CPS2A

(Streptococcus
pneumoniae) 		PF02916
(DNA_PPF)
PF03816
(LytR_cpsA_psr) 		4 TYR A 398
VAL A 230
VAL A 413
ILE A 409
 None
 1.04A 3pyyA-4de8A:
undetectable		 3pyyA-4de8A:
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 TYR A  56
VAL A 159
VAL A 133
ILE A  69
 None
 0.99A 3pyyA-4f0jA:
undetectable		 3pyyA-4f0jA:
20.50
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.
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)
 0.95A 3pyyA-4gi2A:
undetectable		 3pyyA-4gi2A:
21.75
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.
4huj UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored) 		4 TYR A  69
VAL A  62
VAL A 117
ILE A   7
 None
 0.98A 3pyyA-4hujA:
undetectable		 3pyyA-4hujA:
24.12
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.
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
 0.96A 3pyyA-4isbA:
undetectable		 3pyyA-4isbA:
20.50
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.
4iul EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02854
(MIF4G) 		4 TYR A 132
VAL A 105
VAL A  81
ILE A 115
 None
 1.09A 3pyyA-4iulA:
undetectable		 3pyyA-4iulA:
22.58
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.
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)
 0.90A 3pyyA-4jz6A:
undetectable		 3pyyA-4jz6A:
23.94
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.
4l4w ESPG3

(Mycolicibacterium
smegmatis) 		PF14011
(ESX-1_EspG) 		4 VAL A 115
VAL A 106
ILE A  72
ARG A  95
 None
 1.06A 3pyyA-4l4wA:
undetectable		 3pyyA-4l4wA:
22.54
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) 		4 LYS A 295
VAL A 313
VAL A 323
ILE A 336
 VGG  A 601 (-3.8A)
None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
 0.88A 3pyyA-4lggA:
30.1		 3pyyA-4lggA:
45.15
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 TYR A 485
VAL A  86
VAL A 128
ILE A 135
 None
 1.10A 3pyyA-4lihA:
undetectable		 3pyyA-4lihA:
22.31
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 TYR A 375
VAL A 404
ILE A 411
ARG A 444
 None
 0.92A 3pyyA-4lq1A:
undetectable		 3pyyA-4lq1A:
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.
4mtn TRANSCRIPTION
TERMINATION FACTOR
NUSA

(Planctopirus
limnophila) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5)
PF14520
(HHH_5) 		4 VAL A 188
VAL A 177
ILE A 231
ARG A 196
 None
 1.11A 3pyyA-4mtnA:
undetectable		 3pyyA-4mtnA:
20.58
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		4 VAL A 140
VAL A  40
ILE A  84
ARG A 151
 None
 1.11A 3pyyA-4nbwA:
undetectable		 3pyyA-4nbwA:
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		4 TYR A 198
VAL A 221
ILE A  11
ARG A 215
 None
 1.06A 3pyyA-4nnbA:
undetectable		 3pyyA-4nnbA:
19.74
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.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 VAL A 119
VAL A 125
ILE A 216
ARG A 105
 None
 1.06A 3pyyA-4o3sA:
undetectable		 3pyyA-4o3sA:
22.53
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.
4o4o PHYCOCYANOBILIN
LYASE CPCT

(Nostoc sp. PCC
7120) 		PF06206
(CpeT) 		4 VAL A  49
VAL A  53
ILE A  81
ARG A  12
 None
 1.10A 3pyyA-4o4oA:
undetectable		 3pyyA-4o4oA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 4 VAL A 286
VAL A 320
ILE A 259
ARG A 451
 None
 0.99A 3pyyA-4ru5A:
undetectable		 3pyyA-4ru5A:
17.29
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)
 0.97A 3pyyA-4xeyB:
29.9		 3pyyA-4xeyB:
73.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxw C-DOMAIN TYPE II
PEPTIDE SYNTHETASE

(Streptomyces
globisporus) 		PF00668
(Condensation) 		4 VAL A 371
VAL A 367
ILE A 308
ARG A 243
 None
4T7  A 501 (-4.8A)
None
SUC  A 502 (-4.7A)
 1.09A 3pyyA-4zxwA:
undetectable		 3pyyA-4zxwA:
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.
4zxw C-DOMAIN TYPE II
PEPTIDE SYNTHETASE

(Streptomyces
globisporus) 		PF00668
(Condensation) 		4 VAL A 371
VAL A 367
ILE A 308
ARG A 393
 None
4T7  A 501 (-4.8A)
None
SUC  A 502 (-3.7A)
 1.05A 3pyyA-4zxwA:
undetectable		 3pyyA-4zxwA:
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.
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
 0.97A 3pyyA-5b04I:
undetectable		 3pyyA-5b04I:
17.93
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.
5b6k UNCHARACTERIZED
PROTEIN CGKR1

([Candida]
glabrata) 		PF01370
(Epimerase) 		4 TYR A 190
VAL A  12
VAL A 126
ILE A 114
 None
 0.81A 3pyyA-5b6kA:
undetectable		 3pyyA-5b6kA:
21.33
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A1066
VAL A 823
VAL A 765
ILE A 740
 None
 1.10A 3pyyA-5b7iA:
undetectable		 3pyyA-5b7iA:
12.79
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 VAL A  70
VAL A  28
ILE A 123
ARG A  41
 None
 1.02A 3pyyA-5by3A:
undetectable		 3pyyA-5by3A:
18.38
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A 298
VAL A 211
ILE A 205
ARG A 184
 None
 0.99A 3pyyA-5dgtA:
undetectable		 3pyyA-5dgtA:
19.13
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.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		4 VAL A 134
VAL A 125
ILE A  74
ARG A 102
 None
 1.09A 3pyyA-5dlbA:
undetectable		 3pyyA-5dlbA:
23.17
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 VAL A 101
VAL A 114
ILE A  56
ARG A 757
 None
 1.07A 3pyyA-5fkrA:
undetectable		 3pyyA-5fkrA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iql YEATS
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF03366
(YEATS) 		4 VAL A 212
VAL A 327
ILE A 247
ARG A 288
 None
 1.08A 3pyyA-5iqlA:
undetectable		 3pyyA-5iqlA:
15.23
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.
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
 0.97A 3pyyA-5k5tA:
undetectable		 3pyyA-5k5tA:
19.26
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans) 		PF01126
(Heme_oxygenase) 		4 TYR A  45
VAL A 194
VAL A 104
ILE A 201
 None
 0.90A 3pyyA-5kzlA:
undetectable		 3pyyA-5kzlA:
22.95
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.
5t53 N-ACETYLTRANSFERASE
ESCO1

(Homo sapiens) 		PF13878
(zf-C2H2_3)
PF13880
(Acetyltransf_13) 		4 TYR A 677
LYS A 681
VAL A 719
ILE A 685
 None
 0.97A 3pyyA-5t53A:
undetectable		 3pyyA-5t53A:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 TYR A 279
VAL A 234
ILE A 346
ARG A 255
 None
 1.00A 3pyyA-5weaA:
undetectable		 3pyyA-5weaA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 4 VAL A 304
VAL A 383
ILE A 405
ARG A 297
 None
 0.80A 3pyyA-5wlhA:
undetectable		 3pyyA-5wlhA:
11.93
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		4 TYR A 132
VAL A   7
VAL A  17
ILE A  65
 None
 1.11A 3pyyA-5x6sA:
undetectable		 3pyyA-5x6sA:
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 VAL C 306
VAL C  92
ILE C 222
ARG C  62
 None
 0.81A 3pyyA-5xw6C:
undetectable		 3pyyA-5xw6C:
20.88
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.
6aso U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 393
VAL A 298
ILE A 387
ARG A 153
 None
None
None
C  I  58 ( 4.0A)
 1.05A 3pyyA-6asoA:
undetectable		 3pyyA-6asoA:
14.43
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.
6btp -

(-) 		no annotation 4 VAL A  91
VAL A  99
ILE A 149
ARG A  32
 None
 1.11A 3pyyA-6btpA:
undetectable		 3pyyA-6btpA:
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.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 VAL g 122
VAL g 118
ILE g 227
ARG g 171
 None
 1.03A 3pyyA-6fkhg:
undetectable		 3pyyA-6fkhg:
12.33
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.
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
 0.72A 3pyyA-6fyoA:
21.2		 3pyyA-6fyoA:
undetectable