SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_C_30BC500

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 274
VAL A 222
GLY A 237
ALA A 257
ASP A 259
 None
None
NDP  A 302 (-3.5A)
None
None
 1.01A 3keeC-1a4iA:
undetectable		 3keeC-1a4iA:
21.61
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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		5 HIS A 252
ASP A 223
GLY A  27
SER A  94
ALA A 255
 None
 1.05A 3keeC-1a8qA:
undetectable		 3keeC-1a8qA:
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.
1bdy PROTEIN KINASE C

(Rattus
norvegicus) 		no annotation 5 PHE A  27
ARG A  75
ALA A  76
ALA A  77
ASP A  79
 None
 0.91A 3keeC-1bdyA:
undetectable		 3keeC-1bdyA:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		10 HIS A  57
GLY A  58
ASP A  81
VAL A 132
LYS A 136
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.55A 3keeC-1cu1A:
32.1		 3keeC-1cu1A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		10 HIS A  57
GLY A  58
ASP A  81
VAL A 132
LYS A 136
GLY A 137
SER A 139
PHE A 154
ALA A 157
ASP A 168
 None
 0.65A 3keeC-1cu1A:
32.1		 3keeC-1cu1A:
32.92
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.
1elv COMPLEMENT C1S
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 HIS A 460
ASP A 514
LYS A 614
GLY A 615
SER A 617
 SO4  A2001 ( 3.9A)
None
SO4  A2001 (-2.9A)
SO4  A2001 (-4.1A)
SO4  A2001 ( 2.7A)
 0.90A 3keeC-1elvA:
11.7		 3keeC-1elvA:
20.65
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.
1ep5 CAPSID PROTEIN C

(Venezuelan
equine
encephalitis
virus) 		no annotation 5 HIS B 152
ASP B 174
LYS B 223
GLY B 224
SER B 226
 None
 1.08A 3keeC-1ep5B:
11.7		 3keeC-1ep5B:
21.47
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.
1i1r VIRAL IL-6

(Human
gammaherpesvirus
8) 		PF00489
(IL6) 		5 GLY B 133
VAL B 145
GLY B 140
PHE B  87
ALA B 149
 None
 0.99A 3keeC-1i1rB:
undetectable		 3keeC-1i1rB:
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.
1kuu CONSERVED PROTEIN

(Methanothermobacter) 		PF07826
(IMP_cyclohyd) 		5 GLY A 119
GLY A  10
SER A  16
ALA A 188
ALA A 187
 None
 1.05A 3keeC-1kuuA:
undetectable		 3keeC-1kuuA:
21.63
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 362
ASP A 449
VAL A 410
ALA A 433
ALA A 434
 None
 1.01A 3keeC-1lamA:
undetectable		 3keeC-1lamA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miv TRNA CCA-ADDING
ENZYME

(Geobacillus
stearothermophilus) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd)
PF13735
(tRNA_NucTran2_2) 		5 GLY A 380
ARG A 375
ALA A 372
ALA A 369
ASP A 371
 None
 1.01A 3keeC-1mivA:
undetectable		 3keeC-1mivA:
17.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 HIS A  57
GLY A  58
ASP A  81
GLY A 137
ARG A 155
 None
 0.98A 3keeC-1ns3A:
32.8		 3keeC-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		8 HIS A  57
GLY A  58
ASP A  81
VAL A 132
GLY A 137
PHE A 154
ALA A 156
ALA A 157
 None
 0.59A 3keeC-1ns3A:
32.8		 3keeC-1ns3A:
96.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		7 HIS A  57
VAL A 132
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.96A 3keeC-1ns3A:
32.8		 3keeC-1ns3A:
96.26
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		5 HIS A  47
ASP A  97
GLY A 169
SER A 171
ALA A 188
 None
 0.75A 3keeC-1p3cA:
11.5		 3keeC-1p3cA:
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  76
GLY A 104
SER A  93
ALA A  95
ALA A 109
 None
 1.01A 3keeC-1p9hA:
undetectable		 3keeC-1p9hA:
21.34
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		6 GLY A  90
VAL A 128
GLY A 118
SER A 107
ALA A 109
ALA A 123
 None
 1.26A 3keeC-1p9hA:
undetectable		 3keeC-1p9hA:
21.34
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 GLY H  -1
VAL H 195
GLY H  16
ALA H  43
ALA H  42
 None
 1.06A 3keeC-1q5rH:
undetectable		 3keeC-1q5rH:
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 HIS G  57
ASP G 102
LYS G 192
GLY G 193
SER G 195
 None
 0.86A 3keeC-1sgfG:
11.0		 3keeC-1sgfG:
19.20
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY B 390
VAL B 342
GLY B 164
ALA B 397
ALA B 398
 None
 1.07A 3keeC-1tqyB:
undetectable		 3keeC-1tqyB:
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 GLY A 353
VAL A  20
GLY A 147
ALA A  39
ALA A  40
 ANP  A 400 (-3.0A)
None
3PG  A 401 (-4.7A)
None
None
 1.06A 3keeC-1vpeA:
undetectable		 3keeC-1vpeA:
19.45
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 GLY A 354
VAL A  20
GLY A 147
ALA A  39
ALA A  40
 ANP  A 400 (-3.6A)
None
3PG  A 401 (-4.7A)
None
None
 1.07A 3keeC-1vpeA:
undetectable		 3keeC-1vpeA:
19.45
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.
1wd5 HYPOTHETICAL PROTEIN
TT1426

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A  68
VAL A 153
SER A 141
PHE A 144
ALA A 170
 None
 1.05A 3keeC-1wd5A:
undetectable		 3keeC-1wd5A:
22.87
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.
1wu0 ATP SYNTHASE C CHAIN

(Bacillus sp.
PS3) 		PF00137
(ATP-synt_C) 		5 GLY A  62
GLY A  15
ARG A  72
ALA A   9
ALA A   8
 None
 1.02A 3keeC-1wu0A:
undetectable		 3keeC-1wu0A:
17.68
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 HIS A 141
GLY A 140
VAL A  97
GLY A 119
ALA A  93
 MPD  A3003 (-3.9A)
None
None
None
MPD  A3003 ( 4.4A)
 1.06A 3keeC-1wz8A:
undetectable		 3keeC-1wz8A:
21.53
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 GLY A 323
VAL A 613
GLY A 297
PHE A 300
ALA A 617
 None
 1.08A 3keeC-1xjeA:
undetectable		 3keeC-1xjeA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  49
ASP A  88
GLY A 167
SER A 169
ALA A 186
 None
 0.81A 3keeC-1y8tA:
13.6		 3keeC-1y8tA:
21.98
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.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		6 GLY A 201
VAL A 346
GLY A 230
ARG A 342
ALA A 343
ASP A 340
 None
 1.29A 3keeC-2b42A:
undetectable		 3keeC-2b42A:
20.42
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 114
ASP A  43
VAL A  86
ALA A  38
ALA A 145
 None
 1.09A 3keeC-2eihA:
undetectable		 3keeC-2eihA:
18.13
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 225
GLY A 267
PHE A 295
ALA A 273
ALA A 274
 PLP  A 400 (-3.5A)
None
None
None
None
 1.00A 3keeC-2isqA:
undetectable		 3keeC-2isqA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbe ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		5 GLY A 249
GLY A 217
ALA A 169
ALA A 175
ASP A 239
 None
 1.05A 3keeC-2kbeA:
undetectable		 3keeC-2kbeA:
21.61
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.
2qz4 PARAPLEGIN

(Homo sapiens) 		PF00004
(AAA) 		5 GLY A 313
GLY A 518
PHE A 489
ARG A 486
ALA A 510
 None
ADP  A 700 (-3.4A)
None
None
None
 0.80A 3keeC-2qz4A:
undetectable		 3keeC-2qz4A:
21.53
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A 163
ARG A  25
ALA A  22
ALA A  19
ASP A  21
 None
 0.97A 3keeC-2r4jA:
undetectable		 3keeC-2r4jA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82

(Saccharomyces
cerevisiae) 		no annotation 5 VAL B 414
GLY B  42
SER B  29
PHE B  30
ALA B  21
 None
 1.03A 3keeC-2vduB:
undetectable		 3keeC-2vduB:
16.85
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.
2vid SERINE PROTEASE SPLB

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 HIS A  39
ASP A  77
GLY A 155
SER A 157
ALA A 174
 None
 0.76A 3keeC-2vidA:
12.9		 3keeC-2vidA:
23.11
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.09A 3keeC-2wgeA:
undetectable		 3keeC-2wgeA:
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 GLY A 453
VAL A 468
GLY A 450
ALA A 395
ASP A 397
 None
 1.01A 3keeC-2wk2A:
undetectable		 3keeC-2wk2A:
15.40
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.
2xqh IMMUNOGLOBULIN-BINDI
NG PROTEIN EIBD

(Escherichia
coli) 		PF05658
(YadA_head) 		5 GLY A 173
GLY A 201
ALA A 192
ALA A 206
ASP A 193
 None
 0.99A 3keeC-2xqhA:
undetectable		 3keeC-2xqhA:
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		6 ASP A 217
VAL A 107
GLY A 102
SER A 100
ALA A 126
ALA A 127
 None
 1.49A 3keeC-2xuaA:
undetectable		 3keeC-2xuaA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrr AMINOTRANSFERASE,
CLASS V

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 GLY A   7
VAL A 248
GLY A 331
ALA A 190
ALA A 244
 None
 1.08A 3keeC-2yrrA:
undetectable		 3keeC-2yrrA:
18.98
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		5 GLY A 197
GLY A  37
SER A  63
ARG A  61
ASP A  84
 None
 0.97A 3keeC-2yysA:
undetectable		 3keeC-2yysA:
18.37
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 HIS A 300
GLY A 293
ASP A 269
GLY A  83
SER A 176
 None
 1.04A 3keeC-3ajaA:
undetectable		 3keeC-3ajaA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 HIS A 125
ASP A 153
GLY A 257
SER A 259
ALA A 281
 None
 0.75A 3keeC-3ak5A:
7.2		 3keeC-3ak5A:
11.53
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 HIS A  22
GLY A 128
ARG A  21
ALA A 296
ASP A 294
 None
 1.08A 3keeC-3ceaA:
undetectable		 3keeC-3ceaA:
18.87
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.
3d0k PUTATIVE
POLY(3-HYDROXYBUTYRA
TE) DEPOLYMERASE
LPQC

(Bordetella
parapertussis) 		no annotation 5 ASP A 213
VAL A  56
GLY A  59
SER A 145
ALA A 169
 None
None
SO4  A 306 (-3.2A)
SO4  A 304 ( 2.7A)
None
 0.98A 3keeC-3d0kA:
undetectable		 3keeC-3d0kA:
18.09
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.
3gdi PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus) 		PF08447
(PAS_3) 		5 GLY A 275
SER A 273
ARG A 271
ALA A 230
ASP A 233
 None
 0.93A 3keeC-3gdiA:
undetectable		 3keeC-3gdiA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 HIS A 251
ASP A 222
GLY A  27
SER A  94
ALA A 254
 EEE  A 300 (-4.3A)
None
EEE  A 300 (-3.4A)
EEE  A 300 (-1.4A)
None
 1.08A 3keeC-3heaA:
undetectable		 3keeC-3heaA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 321
GLY A 220
ALA A 303
ALA A 306
ASP A 304
 None
 0.88A 3keeC-3k17A:
undetectable		 3keeC-3k17A:
21.47
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 VAL A  93
GLY A  90
ARG A 115
ALA A 112
ASP A 111
 None
 1.05A 3keeC-3m2tA:
undetectable		 3keeC-3m2tA:
22.78
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 561
GLY A 425
ALA A 430
ALA A 391
ASP A 433
 None
 1.00A 3keeC-3mosA:
undetectable		 3keeC-3mosA:
14.75
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 VAL A 228
GLY A 269
ARG A 244
ALA A 200
ALA A 201
 None
None
SO4  A   2 (-2.8A)
None
None
 1.07A 3keeC-3n6zA:
undetectable		 3keeC-3n6zA:
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		5 ASP A  92
VAL A  68
ALA A 126
ALA A 119
ASP A 123
 None
 1.08A 3keeC-3p09A:
undetectable		 3keeC-3p09A:
17.23
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.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A 173
ASP A 203
GLY A 280
SER A 282
ALA A 299
 None
 0.77A 3keeC-3qo6A:
13.6		 3keeC-3qo6A:
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 ASP A 281
GLY A  37
ALA A 293
ALA A 294
ASP A 296
 FAD  A 501 (-3.3A)
None
FAD  A 501 (-3.4A)
None
None
 1.01A 3keeC-3r9uA:
undetectable		 3keeC-3r9uA:
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 HIS A 287
GLY A 288
ASP A 417
GLY A 302
ALA A 439
 FRU  A 902 (-4.0A)
None
None
FRU  A 902 ( 2.2A)
FRU  A 902 ( 3.7A)
 0.94A 3keeC-3s29A:
undetectable		 3keeC-3s29A:
13.85
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  36
GLY A  64
SER A  53
ALA A  55
ALA A  69
 None
 1.08A 3keeC-3s6lA:
undetectable		 3keeC-3s6lA:
25.25
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  50
GLY A  78
SER A  67
ALA A  69
ALA A  83
 None
 1.05A 3keeC-3s6lA:
undetectable		 3keeC-3s6lA:
25.25
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		6 GLY A  92
VAL A 131
GLY A 120
SER A 109
ALA A 111
ALA A 125
 None
 1.20A 3keeC-3s6lA:
undetectable		 3keeC-3s6lA:
25.25
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  82
ASP A 112
GLY A 185
SER A 187
ALA A 204
 None
 0.68A 3keeC-3stjA:
13.9		 3keeC-3stjA:
20.79
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		5 GLY A  18
VAL A 422
SER A 336
ALA A 332
ALA A 331
 None
 0.96A 3keeC-3ue9A:
undetectable		 3keeC-3ue9A:
17.26
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 HIS A  39
ASP A  78
GLY A 152
SER A 154
ALA A 171
 VPF  A 201 (-3.8A)
None
VPF  A 201 (-3.3A)
VPF  A 201 (-1.7A)
VPF  A 201 (-4.9A)
 0.83A 3keeC-3ufaA:
12.4		 3keeC-3ufaA:
22.22
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		6 VAL A  91
GLY A 151
ARG A 161
ALA A 127
ALA A 130
ASP A 128
 None
 1.34A 3keeC-3vvlA:
undetectable		 3keeC-3vvlA:
18.97
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		5 GLY A  81
ASP A  84
VAL A  49
ALA A  30
ALA A  26
 None
 1.08A 3keeC-3wtcA:
undetectable		 3keeC-3wtcA:
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 GLY A 183
SER A 181
ALA A 228
ALA A 234
ASP A 233
 None
 1.07A 3keeC-4cp8A:
undetectable		 3keeC-4cp8A:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		5 GLY A 100
ARG A 109
ALA A  76
ALA A  79
ASP A  77
 None
 1.02A 3keeC-4dgqA:
undetectable		 3keeC-4dgqA:
18.98
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 350
GLY A 356
ARG A 394
ALA A 393
ASP A 428
 None
 1.01A 3keeC-4eudA:
undetectable		 3keeC-4eudA:
19.04
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 GLY A 395
ASP A 404
VAL A 465
GLY A 425
PHE A 421
 NA  A 514 (-4.3A)
NA  A 514 (-2.8A)
None
None
None
 1.01A 3keeC-4fe9A:
undetectable		 3keeC-4fe9A:
16.35
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 HIS A 486
GLY A 512
ASP A 459
VAL A 738
GLY A 714
 ZN  A1003 (-3.4A)
None
None
None
ZN  A1003 ( 4.6A)
 1.00A 3keeC-4g9iA:
undetectable		 3keeC-4g9iA:
12.35
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A  38
GLY A 272
SER A 752
ALA A 239
ALA A 236
 None
 1.04A 3keeC-4iigA:
undetectable		 3keeC-4iigA:
13.65
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.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 HIS A  39
ASP A  78
GLY A 154
SER A 156
ALA A 173
 None
 0.77A 3keeC-4inlA:
12.8		 3keeC-4inlA:
19.83
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A 518
SER A 514
PHE A 491
ARG A 257
ASP A  11
 FAD  A 601 ( 3.5A)
None
None
None
None
 0.99A 3keeC-4iv9A:
undetectable		 3keeC-4iv9A:
16.34
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 HIS A 306
ASP A 259
GLY A 510
SER A 512
ALA A 364
 None
 0.76A 3keeC-4mzdA:
undetectable		 3keeC-4mzdA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		11 HIS A  57
GLY A  58
ASP A  81
LYS A 136
GLY A 137
SER A 139
PHE A 154
ARG A 155
ALA A 156
ALA A 157
ASP A 168
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
2R8  A 301 (-3.6A)
GOL  A 310 ( 2.6A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-2.6A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.6A)
2R8  A 301 (-3.1A)
2R8  A 301 (-3.8A)
2R8  A 301 ( 4.5A)
 0.23A 3keeC-4nwkA:
30.5		 3keeC-4nwkA:
75.36
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 191
VAL A 111
GLY A 152
ALA A 155
ALA A 136
 None
None
289  A 408 (-4.4A)
None
None
 1.07A 3keeC-4q1qA:
undetectable		 3keeC-4q1qA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 304
VAL A 225
GLY A 265
ALA A 268
ALA A 249
 289  A 435 ( 4.8A)
None
289  A 415 ( 3.7A)
None
None
 1.09A 3keeC-4q1qA:
undetectable		 3keeC-4q1qA:
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 HIS A 273
GLY A 274
ASP A 404
GLY A 288
ALA A 426
 None
 0.90A 3keeC-4rbnA:
undetectable		 3keeC-4rbnA:
11.84
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLY A 350
VAL A 295
GLY A 319
ALA A 261
ASP A 341
 None
 1.09A 3keeC-4w7sA:
undetectable		 3keeC-4w7sA:
18.45
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.
4x27 FUSOLIN

(Entomopoxvirinae) 		PF03067
(LPMO_10) 		5 HIS A   1
GLY A   2
VAL A 221
GLY A 224
PHE A 105
 CU  A 401 (-3.1A)
None
None
None
None
 1.01A 3keeC-4x27A:
undetectable		 3keeC-4x27A:
17.34
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY D 111
PHE D 161
ALA D 177
ALA D 178
ASP D 180
 None
 1.08A 3keeC-4x28D:
undetectable		 3keeC-4x28D:
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.
4x2x NS6 PROTEASE

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 HIS A  30
ASP A  54
GLY A 137
ALA A 159
ALA A 160
 None
 0.60A 3keeC-4x2xA:
11.0		 3keeC-4x2xA:
22.50
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.
4yn1 FUSOLIN

(Anomala cuprea
entomopoxvirus) 		PF03067
(LPMO_10) 		5 HIS A   1
GLY A   2
VAL A 221
GLY A 224
PHE A 105
 None
 1.00A 3keeC-4yn1A:
undetectable		 3keeC-4yn1A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yn2 FUSOLIN

(unidentified
entomopoxvirus) 		PF03067
(LPMO_10) 		5 HIS A   1
GLY A   2
VAL A 218
GLY A 221
PHE A 103
 ZN  A 404 (-3.0A)
None
None
None
None
 1.00A 3keeC-4yn2A:
undetectable		 3keeC-4yn2A:
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 HIS B 364
ASP C 116
VAL B 381
GLY B 370
ALA B 328
 None
 1.09A 3keeC-5a8rB:
undetectable		 3keeC-5a8rB:
19.41
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.
5cxu FERULIC ACID
ESTERASE AMCE1/FAE1A

(Anaeromyces
mucronatus) 		PF00756
(Esterase) 		5 HIS A 253
ASP A 222
GLY A  64
SER A 156
ASP A 217
 None
 1.06A 3keeC-5cxuA:
undetectable		 3keeC-5cxuA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 HIS A 224
GLY A 223
ASP A 246
ALA A 243
ALA A 303
 None
 1.05A 3keeC-5cykA:
undetectable		 3keeC-5cykA:
17.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		9 HIS A1057
GLY A1058
ASP A1081
GLY A1137
PHE A1154
ARG A1155
ALA A1156
ALA A1157
ASP A1168
 5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.3A)
5RS  A1203 (-4.8A)
5RS  A1203 (-2.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 4.0A)
 0.23A 3keeC-5eqqA:
30.7		 3keeC-5eqqA:
80.53
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.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS A  57
ASP A 102
LYS A 192
GLY A 193
SER A 195
 None
 0.88A 3keeC-5f8zA:
10.6		 3keeC-5f8zA:
27.52
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.
5jo8 CEP104

(Gallus gallus) 		no annotation 5 ASP A 233
VAL A 216
GLY A 241
ALA A 235
ALA A 220
 None
 1.06A 3keeC-5jo8A:
undetectable		 3keeC-5jo8A:
19.16
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 117
GLY A 327
SER A 325
PHE A 324
ALA A 227
 None
 0.94A 3keeC-5kp7A:
undetectable		 3keeC-5kp7A:
16.74
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.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 HIS A 331
ASP A 304
GLY A 150
SER A 217
ALA A 239
 None
 1.01A 3keeC-5no5A:
undetectable		 3keeC-5no5A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 HIS B  58
ASP B 114
GLY B 218
SER B 220
ALA B 242
 0G6  B 501 (-2.5A)
None
0G6  B 501 (-3.9A)
0G6  B 501 (-1.3A)
0G6  B 501 (-3.4A)
 0.79A 3keeC-5to3B:
9.9		 3keeC-5to3B:
18.87
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 GLY 3 387
VAL 3 463
GLY 3 468
SER 3 511
ARG 3 400
 None
 1.05A 3keeC-5udb3:
undetectable		 3keeC-5udb3:
12.40
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 112
VAL A 105
GLY A 115
ARG A 142
ASP A 209
 None
 1.09A 3keeC-5uohA:
undetectable		 3keeC-5uohA:
16.26
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.
5uvk C-PHYCOCYANIN ALPHA
CHAIN

(Thermosynechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 HIS A 140
GLY A 141
GLY A 144
ALA A 152
ASP A 155
 None
 1.04A 3keeC-5uvkA:
undetectable		 3keeC-5uvkA:
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 GLY A 132
VAL A 172
GLY A 223
SER A 220
ALA A 120
 None
 1.08A 3keeC-5w4zA:
undetectable		 3keeC-5w4zA:
14.62
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 9 HIS A  57
GLY A  58
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.31A 3keeC-5wdxA:
25.4		 3keeC-5wdxA:
23.27
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 5 GLY A 236
VAL A 203
SER A 160
ALA A 162
ALA A 163
 None
None
None
PMS  A 302 (-3.6A)
None
 1.06A 3keeC-5z6oA:
undetectable		 3keeC-5z6oA:
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 GLY A 455
VAL A 470
GLY A 452
ALA A 397
ASP A 399
 None
 1.08A 3keeC-5zl9A:
undetectable		 3keeC-5zl9A:
16.84
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 LYS A 108
SER A 105
ARG A 103
ALA A 121
ASP A 122
 None
 1.08A 3keeC-6f91A:
undetectable		 3keeC-6f91A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gk7 HUMAN FAB ANTIBODY
FRAGMENT OF
CBTAU-27.1(S31Y,T100
I)

(Homo sapiens) 		no annotation 5 GLY H  54
SER H  30
ARG H 102
ALA H 101
ASP H 100
 None
 0.99A 3keeC-6gk7H:
undetectable		 3keeC-6gk7H:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.55A 3keeC-1cu1A:
32.1		 3keeC-1cu1A:
32.92
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 GLN G 163
PHE G 427
TYR G 311
LEU G 339
 None
 1.38A 3keeC-2uv8G:
0.0		 3keeC-2uv8G:
6.27
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 GLN A 433
PHE A 355
TYR A 325
LEU A 440
 None
 1.45A 3keeC-3gcwA:
0.0		 3keeC-3gcwA:
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLN A 748
PHE A 123
TYR A 691
LEU A 375
 None
 1.46A 3keeC-4i3gA:
undetectable		 3keeC-4i3gA:
13.13
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.
4l37 ARYLPHORIN
SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLN B 161
PHE A 289
TYR B 192
LEU B 201
 None
 1.49A 3keeC-4l37B:
0.0		 3keeC-4l37B:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-4.4A)
 0.62A 3keeC-4nwkA:
30.5		 3keeC-4nwkA:
75.36
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 GLN B 433
PHE B 355
TYR B 325
LEU B 440
 None
None
None
PG4  B 503 ( 4.7A)
 1.43A 3keeC-4ov6B:
0.0		 3keeC-4ov6B:
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		4 GLN A  61
PHE A  37
TYR A   4
LEU A  51
 None
 1.44A 3keeC-4pqgA:
0.0		 3keeC-4pqgA:
16.80
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 GLN A 207
PHE A 221
TYR A  72
LEU A 203
 None
 1.30A 3keeC-4y5rA:
undetectable		 3keeC-4y5rA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A1041
PHE A1043
TYR A1056
LEU A1135
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.2A)
 0.50A 3keeC-5eqqA:
30.7		 3keeC-5eqqA:
80.53
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLN A 317
PHE A 558
TYR A 258
LEU A  27
 None
 1.48A 3keeC-5k6oA:
undetectable		 3keeC-5k6oA:
12.27
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		4 GLN A 433
PHE A 355
TYR A 325
LEU A 440
 None
 1.40A 3keeC-5vlhA:
undetectable		 3keeC-5vlhA:
17.75
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 GLN A 517
PHE A 514
TYR A 878
LEU A 702
 None
 1.49A 3keeC-6brsA:
undetectable		 3keeC-6brsA:
18.95