SIMILAR PATTERNS OF AMINO ACIDS FOR 3OHT_A_1N1A1000

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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  33
VAL A  41
ALA A  54
LEU A  78
ILE A  87
LEU A 170
 ANP  A 400 ( 4.9A)
ANP  A 400 (-4.1A)
ANP  A 400 (-3.3A)
None
ANP  A 400 (-4.9A)
ANP  A 400 (-4.0A)
 0.57A 3ohtA-1cm8A:
8.3		 3ohtA-1cm8A:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  33
VAL A  41
ALA A  54
LYS A  56
LEU A  78
ILE A  87
 ANP  A 400 ( 4.9A)
ANP  A 400 (-4.1A)
ANP  A 400 (-3.3A)
ANP  A 400 (-2.9A)
None
ANP  A 400 (-4.9A)
 0.60A 3ohtA-1cm8A:
8.3		 3ohtA-1cm8A:
58.02
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 GLY A 202
VAL A 209
ALA A 220
LYS A 222
THR A 266
LEU A 321
 None
 0.88A 3ohtA-1k9aA:
2.2		 3ohtA-1k9aA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 596
VAL A 603
ALA A 621
LYS A 623
LEU A 644
THR A 670
 None
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-4.4A)
STI  A   3 (-3.2A)
 0.59A 3ohtA-1t46A:
16.2		 3ohtA-1t46A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 596
VAL A 603
ALA A 621
LYS A 623
THR A 670
LEU A 799
 None
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-3.2A)
STI  A   3 (-4.4A)
 1.07A 3ohtA-1t46A:
16.2		 3ohtA-1t46A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 GLY A  35
VAL A  42
ALA A  55
LYS A  57
LEU A  80
ILE A  89
 None
 0.74A 3ohtA-1u5qA:
17.9		 3ohtA-1u5qA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
 None
 0.63A 3ohtA-1zwsA:
6.4		 3ohtA-1zwsA:
28.42
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY X  18
VAL X  25
ALA X  37
LYS X  39
THR X  82
LEU X 137
 STU  X 902 ( 3.7A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 (-4.1A)
STU  X 902 (-4.4A)
 1.08A 3ohtA-2dq7X:
17.2		 3ohtA-2dq7X:
27.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
ILE A  72
LEU A 144
 ADP  A 500 ( 4.1A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
ADP  A 500 (-2.9A)
None
ADP  A 500 (-4.3A)
 1.00A 3ohtA-2f9gA:
8.3		 3ohtA-2f9gA:
41.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  63
ILE A  72
 ADP  A 500 ( 4.1A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
ADP  A 500 (-2.9A)
None
None
 0.69A 3ohtA-2f9gA:
8.3		 3ohtA-2f9gA:
41.19
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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 GLY A 636
VAL A 643
ALA A 659
ILE A 691
THR A 707
LEU A 761
 ADP  A 400 ( 3.9A)
ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
None
ADP  A 400 (-4.7A)
ADP  A 400 ( 4.7A)
 0.96A 3ohtA-2henA:
17.1		 3ohtA-2henA:
23.98
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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 GLY A 636
VAL A 643
ALA A 659
LYS A 661
ILE A 691
THR A 707
 ADP  A 400 ( 3.9A)
ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
ADP  A 400 (-2.7A)
None
ADP  A 400 (-4.7A)
 0.86A 3ohtA-2henA:
17.1		 3ohtA-2henA:
23.98
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 252
VAL A 259
ALA A 271
LYS A 273
THR A 316
LEU A 371
 None
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-4.4A)
 0.82A 3ohtA-2hk5A:
17.0		 3ohtA-2hk5A:
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.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 249
VAL A 256
ALA A 269
LYS A 271
THR A 315
LEU A 370
 None
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.4A)
GIN  A 600 (-4.7A)
 1.02A 3ohtA-2hz0A:
16.6		 3ohtA-2hz0A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iii S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Aquifex
aeolicus) 		PF02675
(AdoMet_dc) 		6 VAL A  16
ALA A  77
ILE A  27
THR A  70
LEU A  30
ASP A  26
 None
None
None
None
None
MG  A 136 (-2.6A)
 0.98A 3ohtA-2iiiA:
undetectable		 3ohtA-2iiiA:
16.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		6 GLY A  26
VAL A  33
ALA A  46
LYS A  48
LEU A  77
ILE A  87
 ATP  A 381 (-3.5A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.2A)
None
None
 0.69A 3ohtA-2phkA:
17.4		 3ohtA-2phkA:
30.33
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 627
GLY A 628
VAL A 635
ALA A 651
ILE A 683
THR A 699
LEU A 753
 None
None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 1.07A 3ohtA-2qobA:
5.7		 3ohtA-2qobA:
24.46
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 627
GLY A 628
VAL A 635
ALA A 651
LYS A 653
ILE A 683
LEU A 753
 None
None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 1.17A 3ohtA-2qobA:
5.7		 3ohtA-2qobA:
24.46
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.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		6 GLY A 429
ALA A 449
LYS A 451
LEU A 467
ILE A 477
THR A 493
 None
 0.60A 3ohtA-2qr7A:
5.4		 3ohtA-2qr7A:
28.30
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.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 GLY A 682
VAL A 689
ALA A 705
ILE A 737
THR A 753
LEU A 807
 None
 1.06A 3ohtA-2r2pA:
17.3		 3ohtA-2r2pA:
22.91
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
 ADP  A1303 (-3.4A)
ADP  A1303 (-4.0A)
ADP  A1303 (-3.5A)
ADP  A1303 (-2.7A)
None
ADP  A1303 ( 4.2A)
 0.70A 3ohtA-2w4kA:
5.0		 3ohtA-2w4kA:
27.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A 425
ALA A 445
LYS A 447
LEU A 463
ILE A 473
THR A 489
 None
 0.74A 3ohtA-2wntA:
17.6		 3ohtA-2wntA:
30.88
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.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY C  56
VAL C  63
ALA C  76
LYS C  78
LEU C 102
ILE C 111
 ANP  C   2 (-3.3A)
ANP  C   2 (-4.2A)
ANP  C   2 (-3.4A)
ANP  C   2 (-3.6A)
None
None
 0.73A 3ohtA-2wtkC:
5.1		 3ohtA-2wtkC:
24.69
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.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 GLY A 628
VAL A 635
ALA A 651
LYS A 653
ILE A 683
THR A 699
LEU A 753
 None
Q9G  A1898 ( 4.7A)
Q9G  A1898 (-3.2A)
Q9G  A1898 (-4.8A)
Q9G  A1898 ( 4.9A)
Q9G  A1898 (-3.5A)
Q9G  A1898 (-4.3A)
 0.91A 3ohtA-2xyuA:
6.1		 3ohtA-2xyuA:
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.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  81
ILE A  91
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
 0.76A 3ohtA-2y7jA:
4.1		 3ohtA-2y7jA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
 AMP  A1302 (-3.5A)
AMP  A1302 (-4.2A)
AMP  A1302 (-3.6A)
AMP  A1302 (-2.8A)
None
AMP  A1302 ( 3.8A)
 0.71A 3ohtA-2yabA:
3.7		 3ohtA-2yabA:
27.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A 532
VAL A 539
ALA A 551
LYS A 553
ILE A 586
LEU A 654
 None
None
None
7PE  A   1 (-2.6A)
None
None
 1.07A 3ohtA-2zmcA:
6.5		 3ohtA-2zmcA:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A 532
VAL A 539
ALA A 551
LYS A 553
LEU A 575
ILE A 586
 None
None
None
7PE  A   1 (-2.6A)
None
None
 0.78A 3ohtA-2zmcA:
6.5		 3ohtA-2zmcA:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 GLY A 254
VAL A 261
ALA A 273
LYS A 275
THR A 319
LEU A 374
 None
 1.01A 3ohtA-2zv7A:
17.0		 3ohtA-2zv7A:
23.25
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
 4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
 0.61A 3ohtA-3bqrA:
4.0		 3ohtA-3bqrA:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  31
GLY A  32
VAL A  39
ALA A  52
LEU A  76
ILE A  85
LEU A 167
 None
 0.44A 3ohtA-3coiA:
32.5		 3ohtA-3coiA:
58.11
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.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 202
VAL A 209
ALA A 220
LYS A 222
THR A 266
LEU A 321
 None
 0.88A 3ohtA-3d7uA:
17.2		 3ohtA-3d7uA:
23.37
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A  45
VAL A  52
ALA A  65
LYS A  67
LEU A  93
ILE A 104
 985  A   1 ( 3.9A)
985  A   1 (-4.5A)
985  A   1 (-3.5A)
985  A   1 ( 2.8A)
MG  A 314 ( 4.8A)
985  A   1 ( 4.7A)
 0.68A 3ohtA-3f2aA:
5.1		 3ohtA-3f2aA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		8 GLY A  31
VAL A  38
ALA A  51
LEU A  75
ILE A  84
THR A 106
ASN A 114
LEU A 167
 None
NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.0A)
 1.19A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		9 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  75
ILE A  84
THR A 106
ASN A 115
LEU A 167
 None
NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.0A)
 1.04A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  30
GLY A  31
VAL A  38
ALA A  51
LEU A  75
THR A 106
ASN A 114
LEU A 167
 None
None
NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.0A)
 1.15A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  30
GLY A  31
VAL A  38
ALA A  51
LEU A  75
THR A 106
ASN A 115
LEU A 167
 None
None
NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.0A)
 1.15A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  38
ALA A  51
LYS A  53
ILE A  84
THR A 106
ASN A 115
LEU A 167
PHE A 169
 NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
None
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.0A)
NIL  A   1 (-3.5A)
 1.16A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
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.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 834
VAL A 841
ALA A 859
LYS A 861
LEU A 882
ASN A 919
 None
8ST  A2001 ( 4.6A)
8ST  A2001 ( 3.8A)
8ST  A2001 (-4.0A)
None
None
 0.79A 3ohtA-3hngA:
16.5		 3ohtA-3hngA:
23.58
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		6 GLY A 681
VAL A 689
ALA A 700
LYS A 702
ILE A 729
LEU A 804
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.4A)
 1.01A 3ohtA-3lj0A:
5.1		 3ohtA-3lj0A:
27.08
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		6 GLY A 681
VAL A 689
ALA A 700
LYS A 702
LEU A 719
ILE A 729
 ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
 0.74A 3ohtA-3lj0A:
5.1		 3ohtA-3lj0A:
27.08
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) 		7 VAL A 208
GLY A 209
VAL A 216
ALA A 227
LYS A 229
THR A 277
LEU A 337
 LDN  A 600 ( 4.4A)
None
LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
LDN  A 600 (-4.0A)
LDN  A 600 (-4.0A)
LDN  A 600 (-4.6A)
 0.88A 3ohtA-3my0A:
15.5		 3ohtA-3my0A:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		6 GLY A  35
VAL A  42
ALA A  55
LYS A  57
ILE A  88
LEU A 161
 None
None
GOL  A 434 ( 4.1A)
GOL  A 433 (-3.2A)
None
GOL  A 434 (-4.2A)
 0.93A 3ohtA-3n9xA:
6.7		 3ohtA-3n9xA:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		6 GLY A  35
VAL A  42
ALA A  55
LYS A  57
LEU A  79
ILE A  88
 None
None
GOL  A 434 ( 4.1A)
GOL  A 433 (-3.2A)
None
None
 0.65A 3ohtA-3n9xA:
6.7		 3ohtA-3n9xA:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 GLY A  37
VAL A  44
ALA A  57
LYS A  59
ILE A  90
LEU A 163
 ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.5A)
ANP  A 430 (-4.4A)
 0.96A 3ohtA-3nieA:
26.8		 3ohtA-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 GLY A  37
VAL A  44
ALA A  57
LYS A  59
LEU A  81
ILE A  90
 ANP  A 430 (-3.5A)
ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
None
ANP  A 430 ( 4.5A)
 0.64A 3ohtA-3nieA:
26.8		 3ohtA-3nieA:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 VAL A  29
GLY A  30
VAL A  37
ALA A  49
LYS A  51
LEU A  73
 None
ADP  A 314 (-3.3A)
ADP  A 314 (-4.0A)
ADP  A 314 (-3.5A)
ADP  A 314 (-2.8A)
None
 0.73A 3ohtA-3nizA:
21.2		 3ohtA-3nizA:
35.71
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 356
VAL A 363
ALA A 373
LYS A 375
LEU A 397
THR A 421
 SM5  A   1 ( 4.9A)
SM5  A   1 (-4.0A)
SM5  A   1 (-3.6A)
SM5  A   1 (-3.5A)
None
SM5  A   1 (-4.4A)
 0.72A 3ohtA-3omvA:
16.9		 3ohtA-3omvA:
29.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 727
VAL A 734
ALA A 751
LYS A 753
THR A 798
LEU A 852
 None
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
03Q  A   1 (-4.4A)
 0.93A 3ohtA-3pp0A:
15.9		 3ohtA-3pp0A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 GLY A  64
VAL A  71
ALA A  84
LEU A 119
ILE A 128
THR A 144
 ANP  A1634 ( 4.1A)
ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
None
ANP  A1634 (-4.6A)
 0.48A 3ohtA-3q5iA:
17.9		 3ohtA-3q5iA:
27.20
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 GLY A  64
VAL A  71
ALA A  84
LYS A  86
LEU A 119
THR A 144
 ANP  A1634 ( 4.1A)
ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
ANP  A1634 (-3.1A)
None
ANP  A1634 (-4.6A)
 0.74A 3ohtA-3q5iA:
17.9		 3ohtA-3q5iA:
27.20
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  10
GLY A  11
VAL A  18
ALA A  31
LYS A  33
LEU A  54
 38R  A 350 (-4.4A)
38R  A 350 ( 3.9A)
38R  A 350 ( 4.8A)
38R  A 350 (-3.4A)
38R  A 350 (-2.9A)
None
 0.81A 3ohtA-3zduA:
6.6		 3ohtA-3zduA:
29.78
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.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 GLY A 626
VAL A 633
ALA A 649
LYS A 651
ILE A 681
THR A 697
LEU A 751
 None
 0.97A 3ohtA-3zfxA:
17.0		 3ohtA-3zfxA:
27.65
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.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 GLY A  98
VAL A 105
ALA A 121
LYS A 123
ILE A 153
THR A 169
LEU A 223
 30K  A1365 ( 3.9A)
30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
None
30K  A1365 (-3.8A)
30K  A1365 (-4.5A)
 0.99A 3ohtA-4aw5A:
17.5		 3ohtA-4aw5A:
25.55
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		7 VAL A 214
GLY A 215
VAL A 222
ALA A 233
LYS A 235
THR A 283
LEU A 343
 TAK  A1507 ( 4.3A)
None
TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
TAK  A1507 (-3.6A)
TAK  A1507 (-4.7A)
 0.85A 3ohtA-4c02A:
4.5		 3ohtA-4c02A:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		6 VAL A 214
VAL A 222
ALA A 233
LYS A 235
THR A 283
ASP A 354
 TAK  A1507 ( 4.3A)
TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
TAK  A1507 (-3.6A)
TAK  A1507 (-3.5A)
 0.83A 3ohtA-4c02A:
4.5		 3ohtA-4c02A:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		6 GLY A 247
VAL A 254
ALA A 267
LYS A 269
LEU A 292
ILE A 302
 None
 0.69A 3ohtA-4c0tA:
5.6		 3ohtA-4c0tA:
17.31
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.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 617
VAL A 624
ALA A 653
LYS A 655
ILE A 685
THR A 701
 None
DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.9A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.6A)
 0.46A 3ohtA-4ckrA:
16.9		 3ohtA-4ckrA:
25.37
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.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		6 VAL A 408
GLY A 409
VAL A 416
ALA A 429
LYS A 431
LEU A 457
 0WB  A 701 (-4.5A)
0WB  A 701 ( 4.4A)
0WB  A 701 (-4.4A)
0WB  A 701 (-3.3A)
0WB  A 701 (-3.0A)
None
 0.99A 3ohtA-4g3fA:
14.6		 3ohtA-4g3fA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		6 GLY A 133
VAL A 140
ALA A 156
ILE A 190
THR A 205
LEU A 259
 None
 1.00A 3ohtA-4hzsA:
5.2		 3ohtA-4hzsA:
24.74
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		6 GLY A 133
VAL A 140
ALA A 156
LYS A 158
ILE A 190
THR A 205
 None
 0.77A 3ohtA-4hzsA:
5.2		 3ohtA-4hzsA:
24.74
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		6 GLY A 133
VAL A 140
ALA A 156
LYS A 158
THR A 205
ASP A 270
 None
 0.77A 3ohtA-4hzsA:
5.2		 3ohtA-4hzsA:
24.74
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.
4id7 ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 133
VAL A 140
ALA A 156
LYS A 158
ILE A 190
LEU A 259
 1G0  A 401 ( 4.2A)
1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-4.3A)
1G0  A 401 (-4.6A)
 0.99A 3ohtA-4id7A:
16.5		 3ohtA-4id7A:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4id7 ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 133
VAL A 140
ALA A 156
LYS A 158
ILE A 190
THR A 205
 1G0  A 401 ( 4.2A)
1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-4.3A)
1G0  A 401 (-3.2A)
 0.69A 3ohtA-4id7A:
16.5		 3ohtA-4id7A:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 VAL A  46
GLY A  47
VAL A  54
LYS A  69
LEU A  86
ILE A 134
 GNP  A 401 (-4.2A)
GNP  A 401 (-3.6A)
GNP  A 401 (-4.2A)
GNP  A 401 (-3.3A)
None
None
 0.75A 3ohtA-4jr7A:
5.2		 3ohtA-4jr7A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A  42
GLY A  43
VAL A  50
ALA A  61
LYS A  63
LEU A  81
 1UL  A 501 (-4.1A)
1UL  A 501 ( 4.1A)
1UL  A 501 ( 4.9A)
1UL  A 501 (-3.1A)
None
None
 0.75A 3ohtA-4l52A:
15.8		 3ohtA-4l52A:
26.13
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		6 VAL A  28
GLY A  29
VAL A  36
ALA A  49
LEU A  76
THR A  95
 ANP  A 401 (-4.7A)
ANP  A 401 (-3.8A)
ANP  A 401 (-4.5A)
ANP  A 401 (-3.1A)
None
ANP  A 401 (-3.8A)
 1.01A 3ohtA-4m69A:
5.5		 3ohtA-4m69A:
25.31
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		6 VAL A  28
GLY A  29
VAL A  36
ALA A  49
THR A  95
LEU A 150
 ANP  A 401 (-4.7A)
ANP  A 401 (-3.8A)
ANP  A 401 (-4.5A)
ANP  A 401 (-3.1A)
ANP  A 401 (-3.8A)
ANP  A 401 (-4.8A)
 0.89A 3ohtA-4m69A:
5.5		 3ohtA-4m69A:
25.31
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.
4p2k EPHRIN TYPE-A
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		6 GLY A 620
VAL A 627
ALA A 644
ILE A 676
THR A 692
LEU A 746
 None
 0.96A 3ohtA-4p2kA:
16.9		 3ohtA-4p2kA:
25.37
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		6 GLY A  25
VAL A  32
ALA A  45
LYS A  47
LEU A  70
ILE A  79
 STU  A 601 (-3.5A)
STU  A 601 ( 4.8A)
STU  A 601 (-3.2A)
STU  A 601 ( 3.7A)
None
STU  A 601 ( 4.6A)
 0.87A 3ohtA-4rewA:
18.9		 3ohtA-4rewA:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		7 GLY B  31
VAL B  38
ALA B  51
LEU B  75
ILE B  84
THR B 106
ASN B 114
 None
None
39G  B 401 (-3.5A)
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
None
 1.46A 3ohtA-4tyhB:
34.3		 3ohtA-4tyhB:
86.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		9 VAL B  30
GLY B  31
VAL B  38
ALA B  51
LYS B  53
LEU B  75
ILE B  84
THR B 106
LEU B 167
 None
None
None
39G  B 401 (-3.5A)
39G  B 401 (-4.2A)
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.6A)
 0.86A 3ohtA-4tyhB:
34.3		 3ohtA-4tyhB:
86.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL B  30
GLY B  31
VAL B  38
LYS B  53
ILE B  84
LEU B 167
ASP B 168
 None
None
None
39G  B 401 (-4.2A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 1.21A 3ohtA-4tyhB:
34.3		 3ohtA-4tyhB:
86.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		9 VAL B  30
VAL B  38
ALA B  51
LYS B  53
LEU B  75
ILE B  84
THR B 106
ASN B 115
LEU B 167
 None
None
39G  B 401 (-3.5A)
39G  B 401 (-4.2A)
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
None
39G  B 401 (-3.6A)
 0.86A 3ohtA-4tyhB:
34.3		 3ohtA-4tyhB:
86.49
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.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		6 GLY A  15
VAL A  22
ALA A  35
LYS A  37
THR A  81
LEU A 136
 ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
 1.02A 3ohtA-4ueuA:
17.2		 3ohtA-4ueuA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 474
VAL A 481
ALA A 501
LYS A 503
ILE A 534
ASP A 630
 None
40M  A1002 ( 4.5A)
40M  A1002 ( 4.1A)
40M  A1002 (-4.0A)
40M  A1002 (-4.0A)
40M  A1002 (-4.5A)
 1.06A 3ohtA-4xcuA:
5.1		 3ohtA-4xcuA:
25.19
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 GLY A 470
VAL A 477
ALA A 488
LYS A 490
LEU A 513
ILE A 522
THR A 539
 4CV  A 801 ( 3.9A)
None
4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
4CV  A 801 ( 4.2A)
4CV  A 801 (-2.8A)
 0.64A 3ohtA-4yffA:
5.9		 3ohtA-4yffA:
25.00
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 GLY A  35
VAL A  42
ALA A  55
LYS A  57
LEU A  80
THR A 105
 ADP  A 506 (-3.5A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
ADP  A 506 (-2.4A)
None
ADP  A 506 ( 4.6A)
 0.71A 3ohtA-4ysjA:
18.7		 3ohtA-4ysjA:
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.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  31
GLY A  32
VAL A  39
ALA A  52
LYS A  54
LEU A  73
 VAL  A  31 (-0.6A)
GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A  73 ( 0.6A)
 0.43A 3ohtA-5d7aA:
18.3		 3ohtA-5d7aA:
25.27
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 250
GLY A 251
VAL A 258
ALA A 275
LYS A 277
THR A 325
LEU A 386
 STU  A 601 (-3.9A)
STU  A 601 (-2.9A)
STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
STU  A 601 (-2.4A)
STU  A 601 ( 3.7A)
STU  A 601 (-3.9A)
 1.00A 3ohtA-5e8yA:
4.6		 3ohtA-5e8yA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		6 GLY A 541
VAL A 548
ALA A 561
LYS A 563
ILE A 595
THR A 611
 4ZS  A 901 ( 4.5A)
4ZS  A 901 (-4.8A)
4ZS  A 901 ( 3.8A)
4ZS  A 901 (-3.9A)
4ZS  A 901 (-4.3A)
4ZS  A 901 (-3.2A)
 0.49A 3ohtA-5ezrA:
5.0		 3ohtA-5ezrA:
18.71
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.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 904
VAL A 911
ALA A 928
LYS A 930
LEU A 951
ILE A 960
 5U3  A1200 ( 3.7A)
5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
None
None
5U3  A1200 (-4.6A)
 0.74A 3ohtA-5f1zA:
5.7		 3ohtA-5f1zA:
25.83
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.
5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 731
VAL A 738
ALA A 756
LYS A 758
ILE A 788
LEU A 881
 PP1  A2012 ( 3.9A)
PP1  A2012 (-4.4A)
PP1  A2012 (-3.2A)
PP1  A2012 (-4.1A)
None
PP1  A2012 (-4.6A)
 0.83A 3ohtA-5fm2A:
16.6		 3ohtA-5fm2A:
24.70
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.
5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 731
VAL A 738
ALA A 756
LYS A 758
LEU A 779
ILE A 788
 PP1  A2012 ( 3.9A)
PP1  A2012 (-4.4A)
PP1  A2012 (-3.2A)
PP1  A2012 (-4.1A)
None
None
 0.57A 3ohtA-5fm2A:
16.6		 3ohtA-5fm2A:
24.70
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.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 600
VAL A 607
ALA A 625
LYS A 627
THR A 674
LEU A 825
 None
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.2A)
748  A1001 (-4.3A)
 1.02A 3ohtA-5grnA:
16.4		 3ohtA-5grnA:
26.12
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.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 VAL A  86
GLY A  87
VAL A  94
ALA A 105
LEU A 125
THR A 148
ASN A 158
 None
 0.74A 3ohtA-5gz8A:
12.5		 3ohtA-5gz8A:
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.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 VAL A  86
GLY A  87
VAL A  94
ALA A 105
THR A 148
LEU A 215
 None
 0.98A 3ohtA-5gz8A:
12.5		 3ohtA-5gz8A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  27
GLY A  28
VAL A  35
ALA A  50
LYS A  52
ILE A  79
LEU A 158
 6A7  A 401 (-4.7A)
6A7  A 401 (-3.6A)
6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 ( 2.9A)
6A7  A 401 (-4.2A)
6A7  A 401 (-4.8A)
 0.97A 3ohtA-5idnA:
3.1		 3ohtA-5idnA:
32.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  27
GLY A  28
VAL A  35
ALA A  50
LYS A  52
LEU A  70
ILE A  79
 6A7  A 401 (-4.7A)
6A7  A 401 (-3.6A)
6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 ( 2.9A)
None
6A7  A 401 (-4.2A)
 0.73A 3ohtA-5idnA:
3.1		 3ohtA-5idnA:
32.63
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.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 GLY A 640
VAL A 647
ALA A 663
LYS A 665
ILE A 695
THR A 711
LEU A 765
 None
None
6P6  A1001 (-3.3A)
None
None
6P6  A1001 (-3.5A)
6P6  A1001 (-4.5A)
 1.14A 3ohtA-5l6oA:
5.9		 3ohtA-5l6oA:
24.58
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 GLY A 156
VAL A 163
ALA A 176
LYS A 178
LEU A 197
ILE A 212
 7A7  A 501 (-3.2A)
7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-3.5A)
None
7A7  A 501 (-4.8A)
 0.77A 3ohtA-5lxdA:
6.5		 3ohtA-5lxdA:
27.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 6 GLY A  45
VAL A  52
ALA A  65
LYS A  67
LEU A  93
ILE A 104
 None
7LK  A 401 (-4.9A)
7LK  A 401 (-3.3A)
None
None
7LK  A 401 (-4.8A)
 0.69A 3ohtA-5turA:
5.2		 3ohtA-5turA:
21.94
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.
5vo1 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 12

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 131
GLY A 132
VAL A 139
ALA A 150
ILE A 174
LEU A 243
 None
9FS  A 501 (-3.7A)
9FS  A 501 (-4.5A)
9FS  A 501 (-3.4A)
None
9FS  A 501 (-4.7A)
 0.89A 3ohtA-5vo1A:
14.9		 3ohtA-5vo1A:
28.50
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 6 GLY A 892
VAL A 899
ALA A 917
LYS A 919
THR A 963
LEU A1017
 ANP  A1201 ( 3.8A)
ANP  A1201 (-4.4A)
ANP  A1201 (-3.3A)
ANP  A1201 (-3.8A)
ANP  A1201 (-3.9A)
ANP  A1201 (-4.7A)
 0.98A 3ohtA-5wnoA:
3.9		 3ohtA-5wnoA:
15.12
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.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 GLY A  50
VAL A  57
ALA A  70
LYS A  72
LEU A  89
ILE A  99
 ATP  A 403 (-3.4A)
ATP  A 403 (-3.9A)
ATP  A 403 (-3.4A)
ATP  A 403 (-3.2A)
None
ATP  A 403 (-4.9A)
 0.68A 3ohtA-5xvuA:
6.1		 3ohtA-5xvuA:
28.43
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.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 6 VAL A 204
GLY A 205
VAL A 212
ALA A 225
LYS A 227
LEU A 248
 None
 0.60A 3ohtA-5xzwA:
15.4		 3ohtA-5xzwA:
23.97
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 6 GLY A 216
VAL A 223
ALA A 236
LYS A 238
LEU A 257
ILE A 272
 None
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
HRM  A 601 ( 4.8A)
 0.79A 3ohtA-5y86A:
7.0		 3ohtA-5y86A:
11.43
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 6 GLY A 532
VAL A 539
ALA A 551
LYS A 553
LEU A 575
ILE A 586
 CQ7  A 801 ( 4.0A)
CQ7  A 801 ( 4.8A)
CQ7  A 801 (-3.2A)
CQ7  A 801 (-3.2A)
None
CQ7  A 801 ( 4.5A)
 0.84A 3ohtA-6b4wA:
5.3		 3ohtA-6b4wA:
28.72
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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		3 GLU A 194
LEU A 277
LEU A  36
 None
 0.72A 3ohtA-1a5cA:
undetectable		 3ohtA-1a5cA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 GLU A 235
LEU A  83
LEU A 157
 None
 0.69A 3ohtA-1ciyA:
undetectable		 3ohtA-1ciyA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cja PROTEIN
(ACTIN-FRAGMIN
KINASE)

(Physarum
polycephalum) 		PF09192
(Act-Frag_cataly) 		3 GLU A 106
LEU A 160
LEU A 164
 None
None
AMP  A 425 ( 4.8A)
 0.64A 3ohtA-1cjaA:
2.6		 3ohtA-1cjaA:
23.30
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.
1cjb PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Plasmodium
falciparum) 		PF00156
(Pribosyltran) 		3 GLU A 144
LEU A 153
LEU A 180
 IRP  A 300 (-2.8A)
None
None
 0.71A 3ohtA-1cjbA:
undetectable		 3ohtA-1cjbA:
22.32
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		3 GLU A  28
LEU A  33
LEU A  71
 None
 0.71A 3ohtA-1d0nA:
undetectable		 3ohtA-1d0nA:
19.46
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		3 GLU A 197
LEU A 280
LEU A  40
 None
 0.76A 3ohtA-1epxA:
undetectable		 3ohtA-1epxA:
25.17
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		3 GLU A 187
LEU A 270
LEU A  30
 None
 0.77A 3ohtA-1fbaA:
undetectable		 3ohtA-1fbaA:
19.52
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.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		3 GLU A 236
LEU A  30
LEU A  23
 GLU  A 236 ( 0.6A)
LEU  A  30 ( 0.6A)
LEU  A  23 ( 0.6A)
 0.70A 3ohtA-1fxjA:
undetectable		 3ohtA-1fxjA:
20.91
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.
1hqs ISOCITRATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00180
(Iso_dh) 		3 GLU A 377
LEU A 381
LEU A 368
 None
 0.76A 3ohtA-1hqsA:
undetectable		 3ohtA-1hqsA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 GLU A  38
LEU A 229
LEU A 260
 None
 0.64A 3ohtA-1i2dA:
undetectable		 3ohtA-1i2dA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE

(Escherichia
coli) 		PF00218
(IGPS) 		3 GLU P 214
LEU P 161
LEU P 176
 None
 0.62A 3ohtA-1jcmP:
undetectable		 3ohtA-1jcmP:
20.30
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 GLU A 128
LEU A 145
LEU A 227
 None
None
TRS  A1415 ( 4.6A)
 0.78A 3ohtA-1jedA:
undetectable		 3ohtA-1jedA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		3 GLU A  19
LEU A 231
LEU A 412
 None
 0.70A 3ohtA-1k0gA:
undetectable		 3ohtA-1k0gA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		3 GLU A 314
LEU A   3
LEU A  62
 None
 0.58A 3ohtA-1l5aA:
undetectable		 3ohtA-1l5aA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT
GLYCEROL DEHYDRATASE
REACTIVASE BETA
SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU)
PF08841
(DDR) 		3 GLU B  30
LEU A 172
LEU A 181
 None
 0.61A 3ohtA-1nbwB:
undetectable		 3ohtA-1nbwB:
17.50
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 3 GLU A  77
LEU A  43
LEU A  51
 None
 0.77A 3ohtA-1oe5A:
undetectable		 3ohtA-1oe5A:
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 GLU B 174
LEU B  12
LEU B  20
 None
 0.75A 3ohtA-1qs0B:
undetectable		 3ohtA-1qs0B:
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 GLU A 128
LEU A 145
LEU A 227
 None
 0.77A 3ohtA-1r6xA:
undetectable		 3ohtA-1r6xA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		3 GLU A 117
LEU A 351
LEU A 359
 None
 0.75A 3ohtA-1rt8A:
undetectable		 3ohtA-1rt8A:
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.
1sv6 2-KETO-4-PENTENOATE
HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		3 GLU A 138
LEU A 229
LEU A 201
 None
 0.63A 3ohtA-1sv6A:
undetectable		 3ohtA-1sv6A:
20.95
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		3 GLU A 434
LEU A 379
LEU A 412
 None
 0.69A 3ohtA-1taqA:
3.8		 3ohtA-1taqA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		3 GLU A 308
LEU A 310
LEU A 174
 None
 0.61A 3ohtA-1tdjA:
undetectable		 3ohtA-1tdjA:
22.08
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.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 3 GLU A 226
LEU A 190
LEU A 271
 None
 0.73A 3ohtA-1u5uA:
undetectable		 3ohtA-1u5uA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		3 GLU A 406
LEU A 629
LEU A 634
 None
 0.68A 3ohtA-1ut9A:
undetectable		 3ohtA-1ut9A:
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.
1vhh SONIC HEDGEHOG

(Mus musculus) 		PF01085
(HH_signal) 		3 GLU A  54
LEU A 140
LEU A 107
 None
 0.67A 3ohtA-1vhhA:
undetectable		 3ohtA-1vhhA:
17.74
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLU A 128
LEU A 152
LEU A 269
 None
 0.77A 3ohtA-1vknA:
undetectable		 3ohtA-1vknA:
24.83
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.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		3 GLU A 199
LEU A 204
LEU A 170
 None
 0.66A 3ohtA-1vzyA:
undetectable		 3ohtA-1vzyA:
22.00
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		3 GLU A 312
LEU A 308
LEU A 497
 None
 0.76A 3ohtA-1wacA:
undetectable		 3ohtA-1wacA:
19.91
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.
1x03 SH3-CONTAINING
GRB2-LIKE PROTEIN 2

(Homo sapiens) 		PF03114
(BAR) 		3 GLU A 162
LEU A 166
LEU A 187
 None
 0.55A 3ohtA-1x03A:
2.1		 3ohtA-1x03A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  64
LEU A  91
LEU A  95
 None
 0.68A 3ohtA-1zwsA:
6.4		 3ohtA-1zwsA:
28.42
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  64
LEU A  91
LEU A  95
 None
 0.53A 3ohtA-2a2aA:
4.1		 3ohtA-2a2aA:
28.75
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.
2atv RAS-LIKE
ESTROGEN-REGULATED
GROWTH INHIBITOR

(Homo sapiens) 		PF00071
(Ras) 		3 GLU A  40
LEU A  59
LEU A  22
 None
 0.77A 3ohtA-2atvA:
undetectable		 3ohtA-2atvA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2n TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		no annotation 3 GLU A 304
LEU A 300
LEU A  76
 None
 0.75A 3ohtA-2b2nA:
undetectable		 3ohtA-2b2nA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		3 GLU A  33
LEU A  59
LEU A  20
 None
 0.70A 3ohtA-2bd0A:
undetectable		 3ohtA-2bd0A:
20.56
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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		3 GLU A  60
LEU A  87
LEU A  91
 None
 0.42A 3ohtA-2bdwA:
5.5		 3ohtA-2bdwA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		3 GLU A 294
LEU A 298
LEU A 330
 None
 0.62A 3ohtA-2bnhA:
undetectable		 3ohtA-2bnhA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c08 SH3-CONTAINING
GRB2-LIKE PROTEIN 2

(Rattus
norvegicus) 		PF03114
(BAR) 		3 GLU A 162
LEU A 166
LEU A 187
 None
 0.44A 3ohtA-2c08A:
2.3		 3ohtA-2c08A:
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.
2csn CASEIN KINASE-1

(Schizosaccharomyces
pombe) 		PF00069
(Pkinase) 		3 GLU A  55
LEU A  83
LEU A  87
 None
 0.78A 3ohtA-2csnA:
13.2		 3ohtA-2csnA:
21.05
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca) 		PF02288
(Dehydratase_MU)
PF08841
(DDR) 		3 GLU B  30
LEU A 170
LEU A 179
 None
 0.72A 3ohtA-2d0oB:
undetectable		 3ohtA-2d0oB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		3 GLU A 352
LEU A 142
LEU A 173
 None
 0.72A 3ohtA-2detA:
undetectable		 3ohtA-2detA:
21.96
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		3 GLU A  91
LEU A  87
LEU A  78
 None
 0.75A 3ohtA-2dvmA:
undetectable		 3ohtA-2dvmA:
22.25
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.
2e2a PROTEIN (ENZYME IIA)

(Lactococcus
lactis) 		PF02255
(PTS_IIA) 		3 GLU A  12
LEU A   8
LEU A  70
 None
 0.53A 3ohtA-2e2aA:
undetectable		 3ohtA-2e2aA:
14.51
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		3 GLU A 537
LEU A 511
LEU A 683
 None
 0.78A 3ohtA-2eaeA:
undetectable		 3ohtA-2eaeA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ery RAS-RELATED PROTEIN
R-RAS2

(Homo sapiens) 		PF00071
(Ras) 		3 GLU A  48
LEU A  67
LEU A  30
 None
 0.78A 3ohtA-2eryA:
undetectable		 3ohtA-2eryA:
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.
2ery RAS-RELATED PROTEIN
R-RAS2

(Homo sapiens) 		PF00071
(Ras) 		3 GLU A  48
LEU A  67
LEU A  91
 None
 0.75A 3ohtA-2eryA:
undetectable		 3ohtA-2eryA:
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.
2f1s VIRAL CASP8 AND
FADD-LIKE APOPTOSIS
REGULATOR

(Molluscum
contagiosum
virus) 		PF01335
(DED) 		3 GLU A 105
LEU A  27
LEU A  72
 None
 0.72A 3ohtA-2f1sA:
undetectable		 3ohtA-2f1sA:
18.27
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.
2f42 STIP1 HOMOLOGY AND
U-BOX CONTAINING
PROTEIN 1

(Danio rerio) 		PF04564
(U-box) 		3 GLU A 239
LEU A 261
LEU A 265
 None
 0.77A 3ohtA-2f42A:
undetectable		 3ohtA-2f42A:
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.
2fn4 RAS-RELATED PROTEIN
R-RAS

(Homo sapiens) 		PF00071
(Ras) 		3 GLU A  63
LEU A  82
LEU A  45
 None
 0.75A 3ohtA-2fn4A:
undetectable		 3ohtA-2fn4A:
20.16
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.
2fn4 RAS-RELATED PROTEIN
R-RAS

(Homo sapiens) 		PF00071
(Ras) 		3 GLU A  63
LEU A  82
LEU A 106
 None
 0.65A 3ohtA-2fn4A:
undetectable		 3ohtA-2fn4A:
20.16
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.
2fr2 HYPOTHETICAL PROTEIN
RV2717C

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		3 GLU A  67
LEU A  83
LEU A 118
 None
 0.52A 3ohtA-2fr2A:
undetectable		 3ohtA-2fr2A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 GLU A 651
LEU A 647
LEU A 422
 None
 0.70A 3ohtA-2fuqA:
undetectable		 3ohtA-2fuqA:
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		3 GLU A 597
LEU A 643
LEU A 698
 None
 0.75A 3ohtA-2gq3A:
undetectable		 3ohtA-2gq3A:
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.
2hqy CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF09924
(DUF2156) 		3 GLU A 172
LEU A 194
LEU A  40
 None
 0.65A 3ohtA-2hqyA:
undetectable		 3ohtA-2hqyA:
21.62
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.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		3 GLU A  39
LEU A  12
LEU A 128
 None
 0.62A 3ohtA-2hxvA:
undetectable		 3ohtA-2hxvA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibg PROTEIN HEDGEHOG

(Drosophila
melanogaster) 		PF01085
(HH_signal) 		3 GLU E 113
LEU E 199
LEU E 166
 None
 0.71A 3ohtA-2ibgE:
undetectable		 3ohtA-2ibgE:
18.75
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.
2ilr FANCONI ANEMIA GROUP
E PROTEIN

(Homo sapiens) 		PF11510
(FA_FANCE) 		3 GLU A 506
LEU A 510
LEU A 476
 None
 0.54A 3ohtA-2ilrA:
undetectable		 3ohtA-2ilrA:
19.35
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		3 GLU A 326
LEU A 364
LEU A 303
 None
 0.77A 3ohtA-2jh3A:
undetectable		 3ohtA-2jh3A:
22.83
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.
2n9v DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		3 GLU A  42
LEU A  40
LEU A  50
 None
 0.74A 3ohtA-2n9vA:
undetectable		 3ohtA-2n9vA:
12.82
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.
2noq 60S RIBOSOMAL
PROTEIN L11-B

(Saccharomyces
cerevisiae) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		3 GLU H  87
LEU H  83
LEU H  18
 None
 0.76A 3ohtA-2noqH:
undetectable		 3ohtA-2noqH:
18.18
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		3 GLU A 135
LEU A 152
LEU A  65
 None
 0.76A 3ohtA-2nt8A:
undetectable		 3ohtA-2nt8A:
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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		3 GLU A 211
LEU A 203
LEU A 192
 DTP  A 301 (-3.5A)
None
None
 0.62A 3ohtA-2ocpA:
undetectable		 3ohtA-2ocpA:
21.02
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		3 GLU A 236
LEU A  30
LEU A  23
 None
 0.72A 3ohtA-2oi6A:
undetectable		 3ohtA-2oi6A:
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		3 GLU A 221
LEU A 351
LEU A 333
 None
None
EDO  A2771 (-4.8A)
 0.65A 3ohtA-2pyjA:
undetectable		 3ohtA-2pyjA:
21.21
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.
2qb0 TELSAM DOMAIN -
LYSOZYME CHIMERA

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF02198
(SAM_PNT) 		3 GLU B 157
LEU B  24
LEU B  62
 MN  B 257 (-2.9A)
None
None
 0.75A 3ohtA-2qb0B:
undetectable		 3ohtA-2qb0B:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1i GCN5-RELATED
N-ACETYLTRANSFERASE

(Arthrobacter
sp. FB24) 		PF00583
(Acetyltransf_1) 		3 GLU A 134
LEU A 132
LEU A 124
 None
GOL  A 177 (-4.3A)
None
 0.71A 3ohtA-2r1iA:
undetectable		 3ohtA-2r1iA:
16.97
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		3 GLU A 272
LEU A 270
LEU A 225
 None
 0.71A 3ohtA-2rjbA:
undetectable		 3ohtA-2rjbA:
24.27
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.
2uwj TYPE III EXPORT
PROTEIN PSCG

(Pseudomonas
aeruginosa) 		PF09477
(Type_III_YscG) 		3 GLU G  30
LEU G  26
LEU G  12
 None
 0.75A 3ohtA-2uwjG:
undetectable		 3ohtA-2uwjG:
14.96
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  64
LEU A  91
LEU A  95
 ADP  A1303 ( 4.8A)
None
None
 0.49A 3ohtA-2w4kA:
5.0		 3ohtA-2w4kA:
27.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A 459
LEU A 487
LEU A 491
 None
 0.70A 3ohtA-2wntA:
17.6		 3ohtA-2wntA:
30.88
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		3 GLU A 277
LEU A  15
LEU A  23
 None
 0.60A 3ohtA-2wocA:
undetectable		 3ohtA-2wocA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		3 GLU A  64
LEU A  91
LEU A  95
 None
None
AMP  A1302 ( 4.9A)
 0.53A 3ohtA-2yabA:
5.5		 3ohtA-2yabA:
27.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		3 GLU A 361
LEU A 365
LEU A 377
 None
 0.72A 3ohtA-2ywbA:
undetectable		 3ohtA-2ywbA:
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		3 GLU A  79
LEU A 288
LEU A  62
 None
 0.73A 3ohtA-2zc0A:
undetectable		 3ohtA-2zc0A:
22.65
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.
3asm RIBONUCLEASE HIII

(Geobacillus
stearothermophilus) 		PF01351
(RNase_HII)
PF11858
(DUF3378) 		3 GLU A  74
LEU A  52
LEU A  33
 None
 0.70A 3ohtA-3asmA:
undetectable		 3ohtA-3asmA:
20.10
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.
3bc1 RAS-RELATED PROTEIN
RAB-27A

(Mus musculus) 		PF00071
(Ras) 		3 GLU A 161
LEU A 101
LEU A 108
 None
 0.74A 3ohtA-3bc1A:
undetectable		 3ohtA-3bc1A:
20.28
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		3 GLU A 292
LEU A 182
LEU A  25
 UDP  A1081 (-2.7A)
None
None
 0.76A 3ohtA-3beoA:
undetectable		 3ohtA-3beoA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bhh CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II BETA
CHAIN

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  61
LEU A  88
LEU A  92
 None
None
5CP  A 600 (-4.6A)
 0.62A 3ohtA-3bhhA:
5.9		 3ohtA-3bhhA:
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		3 GLU B 313
LEU B 311
LEU B 294
 None
 0.74A 3ohtA-3bvhB:
undetectable		 3ohtA-3bvhB:
19.60
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.
3clm TRANSALDOLASE

(Neisseria
gonorrhoeae) 		PF00923
(TAL_FSA) 		3 GLU A 122
LEU A 112
LEU A 163
 None
 0.47A 3ohtA-3clmA:
undetectable		 3ohtA-3clmA:
21.10
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		3 GLU A  40
LEU A  44
LEU A  60
 None
 0.73A 3ohtA-3cnhA:
undetectable		 3ohtA-3cnhA:
18.30
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.
3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1

(Homo sapiens) 		PF01287
(eIF-5a) 		3 GLU A 144
LEU A 112
LEU A 134
 UNX  A   5 (-3.9A)
UNX  A   1 (-4.1A)
None
 0.76A 3ohtA-3cpfA:
undetectable		 3ohtA-3cpfA:
17.62
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.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		3 GLU A 165
LEU A 234
LEU A 217
 None
 0.77A 3ohtA-3dmkA:
undetectable		 3ohtA-3dmkA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzd TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		3 GLU A 135
LEU A 140
LEU A 299
 None
 0.77A 3ohtA-3dzdA:
undetectable		 3ohtA-3dzdA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e10 PUTATIVE NADH
OXIDASE

(Clostridium
acetobutylicum) 		PF00881
(Nitroreductase) 		3 GLU A  97
LEU A 101
LEU A  27
 None
 0.73A 3ohtA-3e10A:
undetectable		 3ohtA-3e10A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 GLU A 385
LEU A 420
LEU A 412
 None
 0.72A 3ohtA-3e2sA:
undetectable		 3ohtA-3e2sA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  73
LEU A 106
LEU A 110
 None
None
35F  A   1 (-4.5A)
 0.42A 3ohtA-3e7oA:
8.2		 3ohtA-3e7oA:
46.25
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		3 GLU A 198
LEU A  15
LEU A 188
 None
 0.67A 3ohtA-3ek1A:
undetectable		 3ohtA-3ek1A:
22.61
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.
3ek3 NITROREDUCTASE

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		3 GLU A 117
LEU A 121
LEU A  33
 None
 0.58A 3ohtA-3ek3A:
undetectable		 3ohtA-3ek3A:
21.94
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.
3emx THIOREDOXIN

(Aeropyrum
pernix) 		PF00085
(Thioredoxin) 		3 GLU A 247
LEU A 251
LEU A 305
 None
 0.77A 3ohtA-3emxA:
undetectable		 3ohtA-3emxA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3esl CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Saccharomyces
cerevisiae) 		PF08311
(Mad3_BUB1_I) 		3 GLU A 198
LEU A 160
LEU A 168
 None
 0.69A 3ohtA-3eslA:
undetectable		 3ohtA-3eslA:
19.55
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.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2

(Cupriavidus
pinatubonensis) 		PF00155
(Aminotran_1_2) 		3 GLU A 269
LEU A 265
LEU A 229
 None
 0.76A 3ohtA-3eucA:
undetectable		 3ohtA-3eucA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2i ALR0221 PROTEIN

(Nostoc sp. PCC
7120) 		PF00300
(His_Phos_1) 		3 GLU A  75
LEU A  49
LEU A   5
 None
 0.64A 3ohtA-3f2iA:
undetectable		 3ohtA-3f2iA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 3 GLU A 182
LEU A 243
LEU A  44
 None
 0.68A 3ohtA-3fokA:
undetectable		 3ohtA-3fokA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		3 GLU A 236
LEU A  30
LEU A  23
 None
 0.71A 3ohtA-3fwwA:
undetectable		 3ohtA-3fwwA:
22.62
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 GLU A  36
LEU A  48
LEU A  74
 None
 0.59A 3ohtA-3fydA:
undetectable		 3ohtA-3fydA:
20.15
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.
3g5a FMN
ADENYLYLTRANSFERASE

([Candida]
glabrata) 		PF01507
(PAPS_reduct) 		3 GLU A 210
LEU A   9
LEU A  78
 None
 0.75A 3ohtA-3g5aA:
undetectable		 3ohtA-3g5aA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g67 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermotoga
maritima) 		PF00015
(MCPsignal) 		3 GLU A 160
LEU A 164
LEU A 138
 None
 0.78A 3ohtA-3g67A:
undetectable		 3ohtA-3g67A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 GLU A 150
LEU A 146
LEU A 160
 None
 0.75A 3ohtA-3gd5A:
undetectable		 3ohtA-3gd5A:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLU A  71
LEU A 104
LEU A 108
 NIL  A   1 (-3.7A)
NIL  A   1 ( 4.3A)
NIL  A   1 ( 4.4A)
 0.34A 3ohtA-3gp0A:
33.1		 3ohtA-3gp0A:
68.34
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 GLU A  36
LEU A  48
LEU A  74
 SAM  A 300 (-4.4A)
None
None
 0.59A 3ohtA-3gryA:
undetectable		 3ohtA-3gryA:
22.68