SIMILAR PATTERNS OF AMINO ACIDS FOR 3GCS_A_BAXA401

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) 		5 ALA A  54
LEU A  78
ILE A  87
ILE A 144
HIS A 151
 ANP  A 400 (-3.3A)
None
ANP  A 400 (-4.9A)
None
None
 0.98A 3gcsA-1cm8A:
24.5		 3gcsA-1cm8A:
60.22
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.
1fot CAMP-DEPENDENT
PROTEIN KINASE TYPE
1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 VAL A 101
ALA A 114
GLU A 135
LEU A 139
ILE A 148
 None
 0.89A 3gcsA-1fotA:
22.6		 3gcsA-1fotA:
25.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fot CAMP-DEPENDENT
PROTEIN KINASE TYPE
1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 VAL A 101
ALA A 114
LEU A 139
ILE A 148
ASP A 228
 None
 1.00A 3gcsA-1fotA:
22.6		 3gcsA-1fotA:
25.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldj CULLIN HOMOLOG 1

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		5 VAL A 734
ALA A 714
ARG A 764
LEU A 762
ASP A 754
 None
 0.92A 3gcsA-1ldjA:
undetectable		 3gcsA-1ldjA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlf REGULATORY PROTEIN
REPA

(Escherichia
coli) 		PF13481
(AAA_25) 		5 ALA A 130
LEU A 142
LEU A 139
ILE A 174
ILE A 206
 None
 0.94A 3gcsA-1nlfA:
undetectable		 3gcsA-1nlfA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		5 VAL A 217
ALA A 245
ARG A 206
LEU A 228
LEU A 255
 None
 1.01A 3gcsA-1oznA:
undetectable		 3gcsA-1oznA:
22.80
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 621
LEU A 644
THR A 670
HIS A 790
ASP A 810
 STI  A   3 (-3.5A)
STI  A   3 (-4.4A)
STI  A   3 (-3.2A)
STI  A   3 (-4.5A)
STI  A   3 (-3.9A)
 0.78A 3gcsA-1t46A:
19.5		 3gcsA-1t46A:
25.52
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 603
ALA A 621
LEU A 647
LEU A 644
THR A 670
 STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
None
STI  A   3 (-4.4A)
STI  A   3 (-3.2A)
 0.98A 3gcsA-1t46A:
19.5		 3gcsA-1t46A:
25.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 204
LEU A 153
LEU A 143
HIS A 129
ASP A 195
 None
 0.93A 3gcsA-1ua2A:
24.7		 3gcsA-1ua2A:
33.51
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.
1xhn CELLULAR REPRESSOR
OF E1A-STIMULATED
GENES

(Homo sapiens) 		PF13883
(Pyrid_oxidase_2) 		5 VAL A 181
ALA A  20
LEU A  89
LEU A 116
ILE A 114
 None
 0.90A 3gcsA-1xhnA:
undetectable		 3gcsA-1xhnA:
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 VAL A  65
ALA A  39
ARG A 236
LEU A 233
ASP A 202
 None
 0.86A 3gcsA-1y4uA:
undetectable		 3gcsA-1y4uA:
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.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  27
ALA A  40
GLU A  64
LEU A  68
ILE A  77
 None
 1.00A 3gcsA-1zwsA:
22.1		 3gcsA-1zwsA:
28.23
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 VAL A  90
LEU A 107
LEU A 114
ILE A  62
ILE A  52
 None
 0.99A 3gcsA-2aaaA:
undetectable		 3gcsA-2aaaA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  78
ALA A  91
ILE A 124
HIS A 187
ASP A 207
 AIZ  A 501 ( 4.7A)
AIZ  A 501 (-3.4A)
None
None
None
 0.81A 3gcsA-2b1pA:
34.5		 3gcsA-2b1pA:
48.15
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.
2c5u RNA LIGASE

(Escherichia
virus T4) 		PF09511
(RNA_lig_T4_1) 		5 VAL A 181
LEU A 134
ILE A 114
THR A 107
ASP A 144
 None
 0.83A 3gcsA-2c5uA:
undetectable		 3gcsA-2c5uA:
24.22
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 ALA A 341
LEU A 361
ILE A 318
LEU A 329
ASP A 330
 None
 0.92A 3gcsA-2h21A:
undetectable		 3gcsA-2h21A:
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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		6 VAL A 643
ALA A 659
ILE A 691
THR A 707
HIS A 752
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)
 1.25A 3gcsA-2henA:
13.5		 3gcsA-2henA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 259
ALA A 271
GLU A 288
THR A 316
ILE A 355
 1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.2A)
1BM  A 499 (-3.2A)
None
 0.80A 3gcsA-2hk5A:
17.7		 3gcsA-2hk5A:
24.39
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 259
ALA A 271
THR A 316
ILE A 355
HIS A 362
 1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.2A)
None
None
 0.87A 3gcsA-2hk5A:
17.7		 3gcsA-2hk5A:
24.39
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 271
GLU A 288
THR A 316
HIS A 362
ASP A 382
 1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.3A)
None
1N8  A 501 ( 3.3A)
 0.87A 3gcsA-2og8A:
20.9		 3gcsA-2og8A:
26.59
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 271
LEU A 291
THR A 316
ILE A 355
HIS A 362
ASP A 382
 1N8  A 501 ( 3.4A)
None
1N8  A 501 ( 3.3A)
None
None
1N8  A 501 ( 3.3A)
 0.84A 3gcsA-2og8A:
20.9		 3gcsA-2og8A:
26.59
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 259
ALA A 271
LEU A 291
THR A 316
ILE A 355
HIS A 362
 None
1N8  A 501 ( 3.4A)
None
1N8  A 501 ( 3.3A)
None
None
 0.95A 3gcsA-2og8A:
20.9		 3gcsA-2og8A:
26.59
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.
2p4i ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 838
ALA A 853
LEU A 879
LEU A 876
ILE A 886
HIS A 962
ASP A 982
 MR9  A 301 (-4.6A)
MR9  A 301 (-3.5A)
MR9  A 301 (-4.1A)
MR9  A 301 ( 4.5A)
MR9  A 301 (-4.0A)
MR9  A 301 (-4.5A)
MR9  A 301 (-4.2A)
 1.36A 3gcsA-2p4iA:
17.3		 3gcsA-2p4iA:
26.67
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.
2pjz HYPOTHETICAL PROTEIN
ST1066

(Sulfurisphaera
tokodaii) 		PF00005
(ABC_tran) 		6 ALA A 142
GLU A  82
LEU A  53
THR A  78
ILE A   9
LEU A  47
 None
 1.38A 3gcsA-2pjzA:
undetectable		 3gcsA-2pjzA:
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 635
ALA A 651
GLU A 670
ILE A 683
THR A 699
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.89A 3gcsA-2qobA:
20.7		 3gcsA-2qobA:
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 635
ALA A 651
ILE A 683
THR A 699
HIS A 744
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.99A 3gcsA-2qobA:
20.7		 3gcsA-2qobA:
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.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA A 449
GLU A 463
LEU A 467
ILE A 477
THR A 493
 None
 0.92A 3gcsA-2qr7A:
18.9		 3gcsA-2qr7A:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA A 449
LEU A 467
ILE A 477
THR A 493
HIS A 537
 None
 0.94A 3gcsA-2qr7A:
18.9		 3gcsA-2qr7A:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r51 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 26B

(Mus musculus) 		PF03643
(Vps26) 		5 VAL A 148
ALA A  25
LEU A 292
LEU A 185
ILE A 209
 None
 0.99A 3gcsA-2r51A:
undetectable		 3gcsA-2r51A:
22.45
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		6 ALA A 157
LEU A  94
ILE A 118
THR A  98
LEU A 119
ASP A 123
 None
 1.35A 3gcsA-2wdaA:
undetectable		 3gcsA-2wdaA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wiz ARCHAEAL HJC

(Archaeoglobus
fulgidus) 		PF01870
(Hjc) 		5 LEU A  13
LEU A  12
ILE A  50
ILE A  24
LEU A  48
 None
 0.92A 3gcsA-2wizA:
undetectable		 3gcsA-2wizA:
17.08
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) 		5 ALA A 445
GLU A 459
LEU A 463
ILE A 473
THR A 489
 None
 0.98A 3gcsA-2wntA:
18.8		 3gcsA-2wntA:
30.39
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		6 VAL A 273
ALA A 254
GLU A 139
LEU A 137
ILE A 167
THR A 151
 None
 1.46A 3gcsA-2wtbA:
undetectable		 3gcsA-2wtbA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL C  63
ALA C  76
GLU C  98
LEU C 102
ILE C 111
 ANP  C   2 (-4.2A)
ANP  C   2 (-3.4A)
None
None
None
 0.97A 3gcsA-2wtkC:
21.4		 3gcsA-2wtkC:
28.49
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		5 VAL A 156
ALA A 154
GLU A 138
THR A 152
ILE A 195
 None
 1.00A 3gcsA-2x1mA:
undetectable		 3gcsA-2x1mA:
22.63
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.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		5 VAL A 157
ALA A 136
LEU A   8
ILE A 114
HIS A 107
 None
 0.86A 3gcsA-2z6iA:
undetectable		 3gcsA-2z6iA:
22.80
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.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 VAL A 261
ALA A 273
LEU A 293
THR A 319
HIS A 365
 None
 1.03A 3gcsA-2zv7A:
20.1		 3gcsA-2zv7A:
25.87
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.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 VAL A 261
ALA A 273
THR A 319
ILE A 358
HIS A 365
 None
 0.97A 3gcsA-2zv7A:
20.1		 3gcsA-2zv7A:
25.87
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.
3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A1092
ALA A1108
GLU A1127
HIS A1202
ASP A1222
 CKK  A1500 ( 4.3A)
CKK  A1500 (-3.2A)
CKK  A1500 (-3.4A)
CKK  A1500 (-4.2A)
CKK  A1500 (-4.5A)
 0.79A 3gcsA-3c1xA:
20.2		 3gcsA-3c1xA:
22.83
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) 		6 VAL A  39
ALA A  52
GLU A  72
LEU A  76
HIS A 148
LEU A 167
 None
 0.95A 3gcsA-3coiA:
38.3		 3gcsA-3coiA:
61.02
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  39
ALA A  52
LEU A  75
LEU A  76
ILE A 141
HIS A 148
LEU A 167
 None
 0.92A 3gcsA-3coiA:
38.3		 3gcsA-3coiA:
61.02
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  39
ALA A  52
LEU A  76
ILE A  85
ILE A 141
HIS A 148
LEU A 167
 None
 0.88A 3gcsA-3coiA:
38.3		 3gcsA-3coiA:
61.02
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) 		5 VAL A  40
ALA A  53
ARG A  72
LEU A  77
HIS A 149
 35F  A   1 ( 4.8A)
35F  A   1 (-3.6A)
None
None
None
 0.95A 3gcsA-3e7oA:
34.4		 3gcsA-3e7oA:
50.00
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.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ALA A 330
LEU A 298
ILE A 309
THR A 313
ILE A 272
 None
 1.01A 3gcsA-3fwwA:
undetectable		 3gcsA-3fwwA:
21.70
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 ALA A  51
GLU A  71
LEU A  75
THR A 106
ILE A 141
HIS A 148
LEU A 167
ASP A 168
 NIL  A   1 (-3.7A)
NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.3A)
NIL  A   1 (-4.0A)
NIL  A   1 (-4.6A)
 0.79A 3gcsA-3gp0A:
40.6		 3gcsA-3gp0A:
74.50
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) 		7 ALA A  51
LEU A  74
LEU A  75
THR A 106
ILE A 141
HIS A 148
ASP A 168
 NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.3A)
NIL  A   1 (-4.6A)
 0.76A 3gcsA-3gp0A:
40.6		 3gcsA-3gp0A:
74.50
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 ALA A  51
LEU A  75
ILE A  84
THR A 106
ILE A 141
HIS A 148
LEU A 167
ASP A 168
 NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
None
NIL  A   1 (-4.3A)
NIL  A   1 (-4.0A)
NIL  A   1 (-4.6A)
 0.80A 3gcsA-3gp0A:
40.6		 3gcsA-3gp0A:
74.50
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) 		5 VAL A  38
ALA A  51
LEU A  74
LEU A  75
THR A 106
 NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
 0.61A 3gcsA-3gp0A:
40.6		 3gcsA-3gp0A:
74.50
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		6 ALA A 126
GLU A 228
ILE A 226
THR A 287
HIS A 184
LEU A 166
 None
 1.39A 3gcsA-3hmuA:
undetectable		 3gcsA-3hmuA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 ALA A  52
GLU A  72
LEU A  76
THR A 107
LEU A 168
 1N1  A1000 (-3.7A)
1N1  A1000 (-4.2A)
1N1  A1000 (-4.7A)
1N1  A1000 (-3.3A)
1N1  A1000 ( 3.7A)
 0.96A 3gcsA-3ohtA:
16.4		 3gcsA-3ohtA:
83.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		7 ALA A  52
LEU A  75
LEU A  76
ILE A  85
THR A 107
ILE A 142
LEU A 168
 1N1  A1000 (-3.7A)
None
1N1  A1000 (-4.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
None
1N1  A1000 ( 3.7A)
 0.74A 3gcsA-3ohtA:
16.4		 3gcsA-3ohtA:
83.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		7 VAL A  39
ALA A  52
LEU A  75
LEU A  76
ILE A  85
THR A 107
ILE A 142
 1N1  A1000 (-4.6A)
1N1  A1000 (-3.7A)
None
1N1  A1000 (-4.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
None
 0.72A 3gcsA-3ohtA:
16.4		 3gcsA-3ohtA:
83.20
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 373
GLU A 393
LEU A 397
THR A 421
HIS A 466
 SM5  A   1 (-3.6A)
SM5  A   1 (-4.3A)
None
SM5  A   1 (-4.4A)
None
 0.89A 3gcsA-3omvA:
19.9		 3gcsA-3omvA:
27.13
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 363
ALA A 373
GLU A 393
LEU A 397
THR A 421
 SM5  A   1 (-4.0A)
SM5  A   1 (-3.6A)
SM5  A   1 (-4.3A)
None
SM5  A   1 (-4.4A)
 0.59A 3gcsA-3omvA:
19.9		 3gcsA-3omvA:
27.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 VAL A  37
ALA A  49
LEU A  82
THR A 112
HIS A 156
 None
 0.32A 3gcsA-3pg1A:
24.7		 3gcsA-3pg1A:
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ALA A  84
LEU A 119
ILE A 128
THR A 144
HIS A 188
 ANP  A1634 (-3.6A)
None
None
ANP  A1634 (-4.6A)
None
 0.93A 3gcsA-3q5iA:
22.0		 3gcsA-3q5iA:
27.02
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 VAL A  71
ALA A  84
GLU A 115
LEU A 119
ILE A 128
THR A 144
 ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
None
None
ANP  A1634 (-4.6A)
 0.99A 3gcsA-3q5iA:
22.0		 3gcsA-3q5iA:
27.02
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A  98
LEU A  94
ILE A 118
THR A 114
HIS A 103
 None
 0.93A 3gcsA-3qi6A:
undetectable		 3gcsA-3qi6A:
21.85
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 552
ALA A 570
GLU A 588
LEU A 591
LEU A 592
HIS A 677
ASP A 697
 None
0F4  A 902 (-3.2A)
0F4  A 902 (-3.6A)
None
0F4  A 902 (-4.7A)
0F4  A 902 (-4.1A)
None
 1.02A 3gcsA-3v5qA:
20.3		 3gcsA-3v5qA:
25.58
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 552
ALA A 570
LEU A 595
LEU A 592
HIS A 677
ASP A 697
 None
0F4  A 902 (-3.2A)
0F4  A 902 ( 4.8A)
0F4  A 902 (-4.7A)
0F4  A 902 (-4.1A)
None
 1.46A 3gcsA-3v5qA:
20.3		 3gcsA-3v5qA:
25.58
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.
3vid VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 866
GLU A 885
LEU A 889
HIS A1026
ASP A1046
 4TT  A2001 (-3.5A)
None
None
None
None
 0.84A 3gcsA-3vidA:
3.1		 3gcsA-3vidA:
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 VAL A 239
ALA A 241
LEU A 174
LEU A 178
ILE A 221
 None
 1.02A 3gcsA-3wajA:
undetectable		 3gcsA-3wajA:
16.95
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.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 653
GLU A 672
THR A 701
HIS A 764
ASP A 784
 DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
DI1  A1000 (-4.1A)
 0.73A 3gcsA-4ckrA:
20.9		 3gcsA-4ckrA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 653
ILE A 685
THR A 701
HIS A 764
ASP A 784
 DI1  A1000 (-3.6A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
DI1  A1000 (-4.1A)
 0.81A 3gcsA-4ckrA:
20.9		 3gcsA-4ckrA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 624
ALA A 653
ILE A 685
THR A 701
HIS A 764
 DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.8A)
 0.99A 3gcsA-4ckrA:
20.9		 3gcsA-4ckrA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 LEU A  74
LEU A 103
ILE A  65
THR A 117
HIS A  37
 None
 1.01A 3gcsA-4gq1A:
undetectable		 3gcsA-4gq1A:
22.38
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		5 LEU A 273
LEU A 270
ILE A 264
THR A 267
ILE A 299
 None
 0.97A 3gcsA-4hxqA:
undetectable		 3gcsA-4hxqA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 GLU A  99
LEU A 101
ILE A 126
THR A 165
ILE A 146
 GLU  A  99 ( 0.6A)
LEU  A 101 ( 0.6A)
ILE  A 126 ( 0.6A)
THR  A 165 ( 0.8A)
ILE  A 146 ( 0.7A)
 1.02A 3gcsA-4kqnA:
undetectable		 3gcsA-4kqnA:
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.
4p2k EPHRIN TYPE-A
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 VAL A 627
ALA A 644
GLU A 663
ILE A 676
THR A 692
 None
 1.03A 3gcsA-4p2kA:
9.5		 3gcsA-4p2kA:
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		6 ALA A 106
GLU A 341
LEU A 337
THR A 102
LEU A  15
ASP A  14
 None
 1.47A 3gcsA-4q7aA:
undetectable		 3gcsA-4q7aA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 ALA A  49
LEU A  74
ILE A  83
ILE A 140
HIS A 147
 ANP  A 402 (-3.3A)
None
ANP  A 402 (-4.8A)
None
None
 1.03A 3gcsA-4qnyA:
32.4		 3gcsA-4qnyA:
38.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  56
ALA A  69
GLU A  88
LEU A  92
ILE A 101
 None
38Z  A 418 (-3.4A)
38Z  A 418 (-3.4A)
None
38Z  A 418 ( 4.9A)
 1.01A 3gcsA-4qtbA:
28.1		 3gcsA-4qtbA:
47.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tv6 2-DEHYDRO-3-DEOXYGLU
CARATE ALDOLASE

(Staphylococcus
aureus) 		PF03328
(HpcH_HpaI) 		5 ARG A  90
ILE A  43
THR A  45
ILE A  67
LEU A  58
 None
 0.96A 3gcsA-4tv6A:
undetectable		 3gcsA-4tv6A:
21.10
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) 		6 GLU B  71
LEU B  74
LEU B  75
THR B 106
LEU B 167
ASP B 168
 39G  B 401 (-3.4A)
None
39G  B 401 (-4.3A)
39G  B 401 (-3.6A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 1.26A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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) 		5 LEU B  75
ILE B  84
THR B 106
LEU B 167
ASP B 168
 39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 0.95A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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  38
ALA B  51
GLU B  71
LEU B  74
LEU B  75
THR B 106
ILE B 141
HIS B 148
LEU B 167
 None
39G  B 401 (-3.5A)
39G  B 401 (-3.4A)
None
39G  B 401 (-4.3A)
39G  B 401 (-3.6A)
None
None
39G  B 401 (-3.6A)
 0.95A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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) 		8 VAL B  38
ALA B  51
LEU B  75
ILE B  84
THR B 106
ILE B 141
HIS B 148
LEU B 167
 None
39G  B 401 (-3.5A)
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
None
None
39G  B 401 (-3.6A)
 0.81A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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) 		5 VAL B 117
LEU B 164
ILE B 134
ILE B 141
HIS B 148
 None
 0.90A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 6 VAL A 907
ALA A 971
LEU A1030
ILE A 938
ILE A 943
ASP A 936
 None
 1.29A 3gcsA-4uvjA:
undetectable		 3gcsA-4uvjA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 VAL A 435
ALA A 605
LEU A 613
ILE A 189
ASP A 523
 None
 0.83A 3gcsA-4wgkA:
undetectable		 3gcsA-4wgkA:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 VAL A  37
ALA A  50
GLU A  69
LEU A  73
ILE A  82
ILE A 138
 None
42A  A 402 (-3.2A)
None
None
None
None
 1.08A 3gcsA-4xrlA:
35.6		 3gcsA-4xrlA:
46.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 VAL A  37
ALA A  50
ILE A  82
ILE A 138
HIS A 145
 None
42A  A 402 (-3.2A)
None
None
None
 0.88A 3gcsA-4xrlA:
35.6		 3gcsA-4xrlA:
46.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zsl MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  82
GLU A 102
LEU A 106
ILE A 115
ASP A 200
 None
4QZ  A 401 (-4.3A)
4QZ  A 401 ( 4.7A)
None
None
 1.01A 3gcsA-4zslA:
34.7		 3gcsA-4zslA:
44.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zsl MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  69
ALA A  82
GLU A 102
LEU A 106
ILE A 115
 None
None
4QZ  A 401 (-4.3A)
4QZ  A 401 ( 4.7A)
None
 0.88A 3gcsA-4zslA:
34.7		 3gcsA-4zslA:
44.02
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ALA A1477
LEU A1406
LEU A1409
HIS A1602
LEU A1588
 None
 0.91A 3gcsA-5a31A:
undetectable		 3gcsA-5a31A:
13.51
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.
5ex6 CYTOCHROME P450

(Streptomyces
toyocaensis) 		no annotation 5 LEU C 139
LEU C 394
ILE C 391
THR C 380
LEU C 247
 None
 0.98A 3gcsA-5ex6C:
undetectable		 3gcsA-5ex6C:
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 LEU A 927
LEU A 924
ILE A 890
ILE A 897
ASP A 915
 None
 0.82A 3gcsA-5gn1A:
undetectable		 3gcsA-5gn1A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 ALA A 547
LEU A 554
ILE A 502
LEU A 621
ASP A 620
 None
 1.00A 3gcsA-5gqfA:
undetectable		 3gcsA-5gqfA:
19.97
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.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 647
ALA A 663
ILE A 695
THR A 711
HIS A 756
ASP A 776
 None
6P6  A1001 (-3.3A)
None
6P6  A1001 (-3.5A)
DIO  A1002 (-4.1A)
None
 1.03A 3gcsA-5l6oA:
20.5		 3gcsA-5l6oA:
25.58
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		5 VAL A 135
ALA A 115
LEU A  25
ILE A  53
LEU A  71
 None
 1.01A 3gcsA-5m3qA:
undetectable		 3gcsA-5m3qA:
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.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLU A 138
LEU A 147
ILE A 111
LEU A 118
ASP A 117
 None
 1.02A 3gcsA-5tovA:
undetectable		 3gcsA-5tovA:
25.68
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 5 ALA A 652
LEU A 527
LEU A 528
ILE A 682
ILE A 621
 None
 1.00A 3gcsA-5tr0A:
undetectable		 3gcsA-5tr0A:
18.53
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 ALA A 297
LEU A 380
LEU A 375
ILE A 303
LEU A 324
 None
 0.96A 3gcsA-5w21A:
undetectable		 3gcsA-5w21A:
10.83
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.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 5 VAL A  37
ALA A  50
THR A 118
ILE A 156
HIS A 163
 ADP  A 401 ( 4.5A)
ADP  A 401 (-3.4A)
ADP  A 401 (-4.1A)
None
None
 0.85A 3gcsA-5x1tA:
19.3		 3gcsA-5x1tA:
13.24
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.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 212
ALA A 225
GLU A 244
LEU A 248
ILE A 310
 None
 0.85A 3gcsA-5xzwA:
17.9		 3gcsA-5xzwA:
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.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 5 LEU A 129
LEU A 110
ILE A 118
THR A 156
ASP A 120
 None
None
None
LLP  A 221 ( 3.5A)
None
 1.01A 3gcsA-6c9bA:
undetectable		 3gcsA-6c9bA:
13.20
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.
6cfp UBIQUITIN-LIKE
PROTEIN
SMT3,POLYMERASE
ACIDIC PROTEIN

(Influenza A
virus;
Saccharomyces
cerevisiae) 		no annotation 5 ALA A 439
LEU A 641
ILE A 428
ILE A 459
LEU A 586
 None
 1.01A 3gcsA-6cfpA:
undetectable		 3gcsA-6cfpA:
12.39
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.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG

(Homo sapiens) 		no annotation 5 ALA A 715
GLU A 732
LEU A 736
HIS A 813
ASP A 834
 919  A1101 (-3.5A)
919  A1101 (-3.7A)
None
919  A1101 (-4.2A)
919  A1101 (-4.5A)
 0.82A 3gcsA-6cnhA:
25.5		 3gcsA-6cnhA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG

(Homo sapiens) 		no annotation 5 VAL A 701
ALA A 715
LEU A 736
HIS A 813
ASP A 834
 919  A1101 (-4.7A)
919  A1101 (-3.5A)
None
919  A1101 (-4.2A)
919  A1101 (-4.5A)
 0.72A 3gcsA-6cnhA:
25.5		 3gcsA-6cnhA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 VAL A 205
ALA A 217
THR A 264
HIS A 310
ASP A 330
 FKY  A9001 ( 4.6A)
FKY  A9001 (-3.3A)
FKY  A9001 (-3.0A)
FKY  A9001 (-3.9A)
None
 0.59A 3gcsA-6cz4A:
20.0		 3gcsA-6cz4A:
14.20
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) 		4 MET A  81
VAL A  86
ILE A 149
ILE A 169
 None
 0.74A 3gcsA-1cm8A:
23.5		 3gcsA-1cm8A:
60.22
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 VAL A 423
LEU A 360
ILE A 273
ILE A 427
 None
 0.83A 3gcsA-1hr7A:
undetectable		 3gcsA-1hr7A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mc3 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Escherichia
coli) 		PF00483
(NTP_transferase) 		4 VAL A 105
LEU A 195
ILE A  46
ILE A   5
 None
 0.93A 3gcsA-1mc3A:
undetectable		 3gcsA-1mc3A:
21.22
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		4 LEU A 172
MET A 171
ILE A  35
ILE A  44
 None
 0.95A 3gcsA-1s8eA:
undetectable		 3gcsA-1s8eA:
21.09
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.
1xkf HYPOTHETICAL PROTEIN
RV2626C

(Mycobacterium
tuberculosis) 		PF00571
(CBS) 		5 MET A   8
VAL A 104
LEU A  49
MET A  48
ILE A 105
 None
 1.44A 3gcsA-1xkfA:
undetectable		 3gcsA-1xkfA:
19.42
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.
1z8w PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
furiosus) 		PF01470
(Peptidase_C15) 		4 VAL A  67
LEU A 139
ILE A 192
ILE A 165
 None
 0.92A 3gcsA-1z8wA:
undetectable		 3gcsA-1z8wA:
19.67
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		5 VAL A 255
LEU A  76
MET A  75
ILE A 310
ILE A 317
 None
 1.38A 3gcsA-2cy7A:
undetectable		 3gcsA-2cy7A:
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.
2dxf NUCLEOSIDE
DIPHOSPHATE KINASE

(Pyrococcus
horikoshii) 		PF00334
(NDK) 		4 MET A  79
VAL A  12
ILE A  28
ILE A 123
 None
 0.76A 3gcsA-2dxfA:
undetectable		 3gcsA-2dxfA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		4 MET A 173
VAL A 151
ILE A  47
ILE A 127
 None
 0.92A 3gcsA-2ekcA:
undetectable		 3gcsA-2ekcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2erx GTP-BINDING PROTEIN
DI-RAS2

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A  10
LEU A  74
ILE A  48
ILE A  59
 None
 0.87A 3gcsA-2erxA:
undetectable		 3gcsA-2erxA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gf0 GTP-BINDING PROTEIN
DI-RAS1

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A  10
LEU A  74
ILE A  48
ILE A  59
 None
 0.80A 3gcsA-2gf0A:
undetectable		 3gcsA-2gf0A:
23.02
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.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		4 LEU A 182
MET A 181
ILE A  40
ILE A  66
 LEU  A 182 ( 0.6A)
GLY  A 106 ( 3.4A)
ILE  A  40 ( 0.7A)
ILE  A  66 ( 0.7A)
 0.96A 3gcsA-2hk0A:
undetectable		 3gcsA-2hk0A:
21.35
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.
2it2 UPF0130 PROTEIN
PH1069

(Pyrococcus
horikoshii) 		PF02676
(TYW3) 		5 MET A 153
VAL A 103
LEU A 108
ILE A 176
ILE A  58
 None
 1.34A 3gcsA-2it2A:
undetectable		 3gcsA-2it2A:
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		4 VAL A 134
LEU A 174
MET A 173
ILE A 103
 None
 0.96A 3gcsA-2oajA:
undetectable		 3gcsA-2oajA:
16.41
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 MET A 270
VAL A 268
LEU A  50
ILE A 278
ILE A 265
 None
 1.27A 3gcsA-2pqdA:
undetectable		 3gcsA-2pqdA:
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 466
VAL A 464
ILE A 381
ILE A 338
 None
 0.95A 3gcsA-2qt6A:
undetectable		 3gcsA-2qt6A:
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.
2qz8 PROBABLE
TRANSCRIPTIONAL
REGULATORY PROTEIN

(Mycobacterium
tuberculosis) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		5 MET A 108
VAL A  94
LEU A  66
ILE A  73
ILE A  91
 None
 1.43A 3gcsA-2qz8A:
undetectable		 3gcsA-2qz8A:
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.
2r6z UPF0341 PROTEIN IN
RSP 3' REGION

(Neisseria
gonorrhoeae) 		PF04445
(SAM_MT) 		4 VAL A  87
MET A 152
ILE A  75
ILE A 164
 None
 0.91A 3gcsA-2r6zA:
undetectable		 3gcsA-2r6zA:
21.30
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.
2rt3 NEGATIVE REGULATOR
OF DIFFERENTIATION 1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		4 VAL A 208
LEU A 283
ILE A 222
ILE A 272
 None
 0.90A 3gcsA-2rt3A:
undetectable		 3gcsA-2rt3A:
15.68
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.
2v25 MAJOR CELL-BINDING
FACTOR

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		4 VAL A  18
LEU A 179
ILE A  57
ILE A  80
 None
 0.89A 3gcsA-2v25A:
undetectable		 3gcsA-2v25A:
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 MET A  81
LEU A 218
ILE A  40
ILE A  25
 None
 0.90A 3gcsA-2whlA:
undetectable		 3gcsA-2whlA:
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.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		4 VAL A 317
LEU A 335
ILE A 301
ILE A 287
 None
 0.77A 3gcsA-2x4lA:
undetectable		 3gcsA-2x4lA:
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 LEU A 303
MET A 280
ILE A 138
ILE A 229
 None
HEM  A1400 ( 4.4A)
None
PG4  A1399 ( 4.5A)
 0.95A 3gcsA-2xkrA:
undetectable		 3gcsA-2xkrA:
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 465
VAL A 463
ILE A 382
ILE A 339
 None
 0.96A 3gcsA-2xybA:
undetectable		 3gcsA-2xybA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 VAL A 773
LEU A 813
ILE A 837
ILE A 776
 None
 0.89A 3gcsA-2xzoA:
undetectable		 3gcsA-2xzoA:
21.23
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.
2y77 3-DEHYDROQUINATE
DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF01220
(DHquinase_II) 		4 VAL A   7
LEU A  59
ILE A 130
ILE A  73
 None
 0.90A 3gcsA-2y77A:
undetectable		 3gcsA-2y77A:
17.45
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.
2ygk NURA

(Sulfolobus
solfataricus) 		PF09376
(NurA) 		4 LEU A 177
MET A 174
ILE A  68
ILE A  70
 None
 0.90A 3gcsA-2ygkA:
undetectable		 3gcsA-2ygkA:
22.80
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 VAL A 347
LEU A 401
ILE A 370
ILE A 355
 None
 0.88A 3gcsA-3acpA:
undetectable		 3gcsA-3acpA:
21.95
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 VAL A 202
LEU A 129
ILE A 186
ILE A 143
 None
 0.77A 3gcsA-3b46A:
undetectable		 3gcsA-3b46A:
21.70
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.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 VAL A 126
LEU A 107
ILE A  54
ILE A  41
 None
 0.91A 3gcsA-3bifA:
undetectable		 3gcsA-3bifA:
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 VAL A 538
LEU A 588
ILE A 504
ILE A 541
 None
 0.88A 3gcsA-3c2gA:
undetectable		 3gcsA-3c2gA:
22.49
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.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 MET A 382
VAL A 385
ILE A 398
ILE A 389
 None
 0.90A 3gcsA-3d36A:
undetectable		 3gcsA-3d36A:
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.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		4 VAL A 124
MET A 115
ILE A 247
ILE A  82
 None
 0.97A 3gcsA-3enkA:
undetectable		 3gcsA-3enkA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2

(Cupriavidus
pinatubonensis) 		PF00155
(Aminotran_1_2) 		4 VAL A 111
LEU A 149
ILE A  97
ILE A 159
 None
 0.87A 3gcsA-3eucA:
undetectable		 3gcsA-3eucA:
22.38
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		4 MET A 209
VAL A 189
ILE A 175
ILE A 152
 None
 0.85A 3gcsA-3f4nA:
undetectable		 3gcsA-3f4nA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		4 VAL A 374
LEU A 212
MET A 246
ILE A 378
 None
 0.83A 3gcsA-3f9tA:
undetectable		 3gcsA-3f9tA:
20.80
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 VAL A 336
LEU A 436
ILE A 395
ILE A 334
 None
 0.95A 3gcsA-3gcwA:
undetectable		 3gcsA-3gcwA:
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.
3h8w RIBONUCLEASE H

(Escherichia
virus T4) 		PF02739
(5_3_exonuc_N)
PF09293
(RNaseH_C) 		4 VAL A  67
LEU A  48
ILE A 271
ILE A 122
 None
 0.91A 3gcsA-3h8wA:
undetectable		 3gcsA-3h8wA:
22.59
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 MET A 421
VAL A 449
LEU A 318
ILE A 468
 None
 0.87A 3gcsA-3higA:
undetectable		 3gcsA-3higA:
18.39
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		4 MET A 112
LEU A 249
ILE A  71
ILE A  56
 None
 0.94A 3gcsA-3jugA:
undetectable		 3gcsA-3jugA:
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 MET A 114
VAL A 112
ILE A 270
ILE A 109
 None
None
None
CA  A 430 (-4.9A)
 0.90A 3gcsA-3k28A:
undetectable		 3gcsA-3k28A:
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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 250
MET A 272
ILE A 315
ILE A 335
 None
 0.79A 3gcsA-3kmuA:
18.8		 3gcsA-3kmuA:
21.77
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.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 MET A 865
VAL A 990
ILE A 849
ILE A 993
 None
 0.96A 3gcsA-3l4kA:
undetectable		 3gcsA-3l4kA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 VAL A 728
LEU A 747
ILE A 793
ILE A 826
 None
 0.75A 3gcsA-3lj0A:
19.2		 3gcsA-3lj0A:
27.77
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.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		4 VAL A  25
LEU A  40
ILE A 251
ILE A  29
 None
 0.94A 3gcsA-3mbhA:
undetectable		 3gcsA-3mbhA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpd NUCLEOSIDE
DIPHOSPHATE KINASE

(Encephalitozoon
cuniculi) 		PF00334
(NDK) 		4 MET A  73
MET A  65
ILE A  22
ILE A 114
 None
 0.86A 3gcsA-3mpdA:
undetectable		 3gcsA-3mpdA:
17.96
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.
3nxk CYTOPLASMIC
L-ASPARAGINASE

(Campylobacter
jejuni) 		PF00710
(Asparaginase) 		4 VAL A 274
LEU A 313
ILE A 256
ILE A 246
 None
 0.80A 3gcsA-3nxkA:
undetectable		 3gcsA-3nxkA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 MET A  79
VAL A  84
LEU A 109
MET A 110
ILE A 147
 None
None
1N1  A1000 (-4.7A)
None
None
 1.07A 3gcsA-3ohtA:
16.5		 3gcsA-3ohtA:
83.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 MET A  79
VAL A  84
MET A 110
ILE A 147
ILE A 167
 None
 0.84A 3gcsA-3ohtA:
16.5		 3gcsA-3ohtA:
83.20
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.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH

(Actinoplanes
sp. SE50/110) 		PF01547
(SBP_bac_1) 		4 MET A  38
VAL A  49
ILE A 311
ILE A  19
 None
 0.77A 3gcsA-3oo9A:
undetectable		 3gcsA-3oo9A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Actinobacillus
succinogenes) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A  42
LEU A 349
ILE A  11
ILE A  43
 None
 0.94A 3gcsA-3pfrA:
undetectable		 3gcsA-3pfrA:
22.48
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.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 MET A 774
VAL A 782
MET A 801
ILE A 861
 03Q  A   1 (-4.5A)
None
None
None
 0.87A 3gcsA-3pp0A:
19.0		 3gcsA-3pp0A:
27.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		4 MET A 143
VAL A 141
LEU A 292
ILE A 129
 None
 0.85A 3gcsA-3r8eA:
undetectable		 3gcsA-3r8eA:
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.
3rf2 30S RIBOSOMAL
PROTEIN S8

(Aquifex
aeolicus) 		PF00410
(Ribosomal_S8) 		4 VAL A  27
LEU A  80
ILE A  46
ILE A  94
 None
 0.96A 3gcsA-3rf2A:
undetectable		 3gcsA-3rf2A:
18.52
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.
3rkr SHORT CHAIN
OXIDOREDUCTASE

(uncultured
bacterium Bio5) 		PF00106
(adh_short) 		4 VAL A  88
LEU A 121
ILE A 212
ILE A 139
 None
 0.85A 3gcsA-3rkrA:
undetectable		 3gcsA-3rkrA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rl3 METALLOPHOSPHOESTERA
SE MPPED2

(Rattus
norvegicus) 		PF00149
(Metallophos) 		4 VAL A 249
LEU A 217
ILE A  63
ILE A 268
 None
 0.78A 3gcsA-3rl3A:
undetectable		 3gcsA-3rl3A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rot ABC SUGAR
TRANSPORTER,
PERIPLASMIC SUGAR
BINDING PROTEIN

(Legionella
pneumophila) 		PF13407
(Peripla_BP_4) 		5 VAL A 108
LEU A 285
MET A 280
ILE A  88
ILE A  84
 None
 1.48A 3gcsA-3rotA:
undetectable		 3gcsA-3rotA:
21.78
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 VAL A 126
LEU A 314
ILE A  72
ILE A  32
 None
 0.95A 3gcsA-3wiqA:
undetectable		 3gcsA-3wiqA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dry 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		4 VAL A  93
LEU A 126
ILE A 226
ILE A 146
 None
 0.96A 3gcsA-4dryA:
undetectable		 3gcsA-4dryA:
20.64
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 VAL A  17
LEU A 319
MET A 316
ILE A 176
 None
 0.92A 3gcsA-4ewpA:
undetectable		 3gcsA-4ewpA:
19.84
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		4 VAL B 145
LEU B 131
ILE B  49
ILE B  74
 None
 0.94A 3gcsA-4f6tB:
undetectable		 3gcsA-4f6tB:
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.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		4 VAL A 101
LEU A 319
MET A 315
ILE A  78
 None
 0.94A 3gcsA-4hy3A:
undetectable		 3gcsA-4hy3A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 464
VAL A 462
ILE A 325
ILE A 338
 None
 0.84A 3gcsA-4jhvA:
undetectable		 3gcsA-4jhvA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 464
VAL A 462
ILE A 381
ILE A 338
 None
 0.84A 3gcsA-4jhvA:
undetectable		 3gcsA-4jhvA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		4 VAL A  88
LEU A 120
ILE A 219
ILE A 138
 None
 0.95A 3gcsA-4jroA:
undetectable		 3gcsA-4jroA:
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 VAL A  50
LEU A 349
ILE A  31
ILE A 393
 VAL  A  50 ( 0.6A)
LEU  A 349 ( 0.5A)
ILE  A  31 ( 0.7A)
ILE  A 393 ( 0.4A)
 0.69A 3gcsA-4kqnA:
undetectable		 3gcsA-4kqnA:
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 LEU A 143
MET A 142
ILE A  85
ILE A 101
 None
 0.75A 3gcsA-4nq1A:
undetectable		 3gcsA-4nq1A:
22.37
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 VAL B 336
LEU B 436
ILE B 395
ILE B 334
 None
 0.89A 3gcsA-4ov6B:
undetectable		 3gcsA-4ov6B:
24.52
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.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 VAL A 179
MET A   1
ILE A 217
ILE A 176
 None
 0.92A 3gcsA-4p6yA:
undetectable		 3gcsA-4p6yA:
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.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A  71
LEU A 417
MET A 418
ILE A  56
 None
 0.80A 3gcsA-4rjkA:
undetectable		 3gcsA-4rjkA:
21.70
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 MET B 552
LEU B 583
ILE B 736
ILE B 559
 None
 0.90A 3gcsA-4tmaB:
undetectable		 3gcsA-4tmaB:
22.92
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) 		5 MET B  78
VAL B  83
LEU B 108
ILE B 146
ILE B 166
 None
None
39G  B 401 ( 4.9A)
None
None
 0.62A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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) 		5 MET B  78
VAL B  83
LEU B 108
MET B 109
ILE B 166
 None
None
39G  B 401 ( 4.9A)
39G  B 401 (-4.8A)
None
 1.07A 3gcsA-4tyhB:
29.9		 3gcsA-4tyhB:
98.28
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.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 VAL A 133
LEU A 305
ILE A 119
ILE A 109
 None
 0.82A 3gcsA-4wt7A:
undetectable		 3gcsA-4wt7A:
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 MET A 763
VAL A 813
ILE A 796
ILE A 814
 None
 0.78A 3gcsA-4xriA:
undetectable		 3gcsA-4xriA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 VAL A 230
LEU A 188
ILE A 294
ILE A 231
 None
 0.61A 3gcsA-4y21A:
undetectable		 3gcsA-4y21A:
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 VAL A 625
LEU A 644
ILE A 684
ILE A 709
 NA  A1001 (-4.9A)
None
None
None
 0.61A 3gcsA-4z7gA:
17.1		 3gcsA-4z7gA:
26.62
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		4 VAL A 247
LEU A 328
MET A  26
ILE A 206
 None
 0.96A 3gcsA-4zr8A:
undetectable		 3gcsA-4zr8A:
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.
4zzh NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 VAL A 258
LEU A 450
ILE A 486
ILE A 437
 None
 0.93A 3gcsA-4zzhA:
undetectable		 3gcsA-4zzhA:
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.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF13406
(SLT_2) 		4 MET A 203
VAL A 157
ILE A 184
ILE A 158
 None
 0.72A 3gcsA-5ao8A:
undetectable		 3gcsA-5ao8A:
23.70
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.
5bu6 BPSB (PGAB),
POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Bordetella
bronchiseptica) 		PF01522
(Polysacc_deac_1) 		4 MET A  90
VAL A 135
LEU A  76
ILE A 270
 None
 0.93A 3gcsA-5bu6A:
undetectable		 3gcsA-5bu6A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvo UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 46

(Homo sapiens) 		PF00443
(UCH) 		4 VAL B 303
LEU B 128
ILE B 340
ILE B 315
 None
 0.92A 3gcsA-5cvoB:
undetectable		 3gcsA-5cvoB:
22.82
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.
5dbq THIOREDOXIN

(Anticarsia
gemmatalis) 		PF00085
(Thioredoxin) 		4 VAL A  79
LEU A 103
ILE A  72
ILE A  25
 None
 0.83A 3gcsA-5dbqA:
undetectable		 3gcsA-5dbqA:
14.79
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		4 VAL A   6
LEU A  29
ILE A 130
ILE A   8
 NAP  A 201 ( 3.6A)
None
None
None
 0.97A 3gcsA-5ecxA:
undetectable		 3gcsA-5ecxA:
16.90
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		4 MET X 115
LEU X  24
ILE X 107
ILE X  58
 None
 0.93A 3gcsA-5evyX:
undetectable		 3gcsA-5evyX:
22.79
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.
5im5 DESIGNED
KETO-HYDROXYGLUTARAT
E-ALDOLASE/KETO-DEOX
Y-PHOSPHOGLUCONATE
ALDOLASE

(Vibrionales
bacterium
SWAT-3) 		no annotation 4 VAL P  87
LEU P 154
ILE P 103
ILE P  70
 None
 0.95A 3gcsA-5im5P:
undetectable		 3gcsA-5im5P:
20.98
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.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 774
LEU A 792
MET A 793
ILE A 853
 None
6HJ  A1101 ( 4.9A)
None
None
 0.88A 3gcsA-5j9zA:
20.2		 3gcsA-5j9zA:
25.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		4 VAL A 198
LEU A 341
ILE A  94
ILE A 335
 None
 0.73A 3gcsA-5jkjA:
undetectable		 3gcsA-5jkjA:
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
3, MITOCHONDRIAL

(Bos taurus) 		PF00329
(Complex1_30kDa)
PF00346
(Complex1_49kDa) 		4 VAL D 376
LEU C  96
ILE D  91
ILE D 391
 None
 0.96A 3gcsA-5lc5D:
undetectable		 3gcsA-5lc5D:
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.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 4 VAL A 197
MET A  51
ILE A 186
ILE A 166
 None
 0.95A 3gcsA-5lj9A:
undetectable		 3gcsA-5lj9A:
22.13
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		4 MET A 371
VAL A 374
LEU A  22
ILE A 354
 None
 0.95A 3gcsA-5lq3A:
undetectable		 3gcsA-5lq3A:
16.68
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN10

(Saccharomyces
cerevisiae) 		PF13519
(VWA_2) 		4 VAL W   7
LEU W   3
ILE W  93
ILE W 110
 None
 0.89A 3gcsA-5mpdW:
undetectable		 3gcsA-5mpdW:
21.95
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 VAL A1162
LEU A1120
ILE A1226
ILE A1163
 None
 0.56A 3gcsA-5ue8A:
undetectable		 3gcsA-5ue8A:
17.63
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 VAL A 123
LEU A 138
ILE A 166
ILE A 158
 None
B12  A 802 ( 4.0A)
None
None
 0.91A 3gcsA-5ul4A:
undetectable		 3gcsA-5ul4A:
20.11
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		4 VAL A 336
LEU A 436
ILE A 395
ILE A 334
 None
 0.87A 3gcsA-5vlhA:
undetectable		 3gcsA-5vlhA:
22.98
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 4 VAL A 248
LEU A 269
ILE A 308
ILE A 328
 None
BI9  A 501 (-4.4A)
None
None
 0.82A 3gcsA-6bqlA:
21.2		 3gcsA-6bqlA:
12.85
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.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo sapiens) 		no annotation 4 VAL A 211
LEU A 232
ILE A 271
ILE A 291
 None
H1N  A 501 (-4.3A)
None
None
 0.57A 3gcsA-6ccfA:
21.1		 3gcsA-6ccfA:
12.01
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.
6d12 LA-RELATED PROTEIN 7

(Homo sapiens) 		no annotation 4 MET A 475
VAL A 506
ILE A 459
ILE A 507
 None
 0.92A 3gcsA-6d12A:
undetectable		 3gcsA-6d12A:
12.22
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 4 VAL A  30
MET A 237
ILE A   9
ILE A 333
 None
 0.76A 3gcsA-6fm7A:
undetectable		 3gcsA-6fm7A:
12.87
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.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 4 MET A 142
VAL A 316
ILE A 124
ILE A 312
 None
 0.90A 3gcsA-6ftlA:
undetectable		 3gcsA-6ftlA:
13.20