SIMILAR PATTERNS OF AMINO ACIDS FOR 3KEE_A_30BA500

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.
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
 1.09A 3keeA-1a8qA:
undetectable		 3keeA-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
 0.95A 3keeA-1bdyA:
undetectable		 3keeA-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
LYS A 136
GLY A 137
PHE A 154
ALA A 156
ALA A 157
CYH A 159
ASP A 168
 None
 0.55A 3keeA-1cu1A:
32.1		 3keeA-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
LYS A 136
GLY A 137
SER A 139
PHE A 154
ALA A 157
CYH A 159
ASP A 168
 None
 0.65A 3keeA-1cu1A:
32.1		 3keeA-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 3keeA-1elvA:
12.0		 3keeA-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
 1.07A 3keeA-1ep5B:
6.5		 3keeA-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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.12A 3keeA-1evqA:
undetectable		 3keeA-1evqA:
19.37
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.
1hjr HOLLIDAY JUNCTION
RESOLVASE (RUVC)

(Escherichia
coli) 		PF02075
(RuvC) 		5 ASP A 138
GLY A  29
SER A  30
ALA A 142
ASP A   7
 None
 1.10A 3keeA-1hjrA:
undetectable		 3keeA-1hjrA:
23.88
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) 		6 HIS A  57
ASP A  81
GLY A 137
SER A 139
ARG A 155
ASP A 168
 None
 1.35A 3keeA-1ns3A:
32.7		 3keeA-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) 		6 HIS A  57
GLY A  58
ASP A  81
GLY A 137
ARG A 155
ASP A 168
 None
 1.19A 3keeA-1ns3A:
32.7		 3keeA-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
GLY A 137
PHE A 154
ALA A 156
ALA A 157
ASP A 168
 None
 0.72A 3keeA-1ns3A:
32.7		 3keeA-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
 0.74A 3keeA-1p3cA:
11.8		 3keeA-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
 1.08A 3keeA-1p9hA:
undetectable		 3keeA-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) 		5 GLY A  90
GLY A 118
SER A 107
ALA A 109
ALA A 123
 None
 1.06A 3keeA-1p9hA:
undetectable		 3keeA-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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 131
GLY A 210
ARG A 138
ALA A  87
ASP A  84
 NDP  A 310 ( 4.1A)
NDP  A 310 ( 3.7A)
None
None
None
 1.00A 3keeA-1qp8A:
undetectable		 3keeA-1qp8A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 3keeA-1sgfG:
11.3		 3keeA-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.
1to0 HYPOTHETICAL UPF0247
PROTEIN YYDA

(Bacillus
subtilis) 		PF02590
(SPOUT_MTase) 		5 GLY A  60
GLY A 108
ARG A 120
ALA A 121
ASP A 122
 None
 1.14A 3keeA-1to0A:
undetectable		 3keeA-1to0A:
24.53
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.
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
 0.96A 3keeA-1wu0A:
undetectable		 3keeA-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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 GLY A  64
GLY A 126
PHE A  50
ARG A  94
ALA A 103
 None
 1.13A 3keeA-1xfkA:
undetectable		 3keeA-1xfkA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 GLY C 476
PHE C 498
ARG C 492
ALA C 496
ASP C 497
 None
 1.14A 3keeA-2advC:
undetectable		 3keeA-2advC:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 201
GLY A 230
ARG A 342
ALA A 343
ASP A 340
 None
 1.03A 3keeA-2b42A:
undetectable		 3keeA-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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		5 GLY A 102
GLY A  85
ALA A  66
CYH A  70
ASP A  64
 None
 0.99A 3keeA-2c1hA:
undetectable		 3keeA-2c1hA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ASP A 238
GLY A 123
ALA A 262
ALA A 265
ASP A 263
 GMP  A 400 (-2.9A)
None
None
None
None
 1.12A 3keeA-2fqxA:
undetectable		 3keeA-2fqxA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A 221
PHE A 142
ARG A 214
ALA A 141
ALA A 138
 None
 1.10A 3keeA-2g04A:
undetectable		 3keeA-2g04A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 3keeA-2isqA:
undetectable		 3keeA-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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		5 HIS A 232
GLY A 233
GLY A 208
ALA A 126
ALA A 123
 None
 1.08A 3keeA-2j4rA:
undetectable		 3keeA-2j4rA:
19.68
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.
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
 1.06A 3keeA-2kbeA:
undetectable		 3keeA-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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 293
GLY A 272
ALA A 302
ALA A 305
ASP A 303
 None
 1.12A 3keeA-2ox4A:
undetectable		 3keeA-2ox4A:
18.36
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 394
ARG A  60
ALA A  57
ALA A  58
ASP A  56
 PPY  A5003 (-3.5A)
PPY  A5003 (-4.2A)
None
None
None
 1.09A 3keeA-2q5oA:
undetectable		 3keeA-2q5oA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 3keeA-2qz4A:
undetectable		 3keeA-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
 0.96A 3keeA-2r4jA:
undetectable		 3keeA-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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		6 GLY A 165
SER A 170
ARG A  81
ALA A 172
ALA A 121
ASP A 122
 None
 1.49A 3keeA-2r7dA:
undetectable		 3keeA-2r7dA:
16.70
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.
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
 0.75A 3keeA-2vidA:
13.3		 3keeA-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 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.13A 3keeA-2wgeA:
undetectable		 3keeA-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.
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
 1.10A 3keeA-2wgeA:
undetectable		 3keeA-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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLY A 503
GLY A 293
SER A 524
ALA A 527
ALA A 284
 None
 1.13A 3keeA-2xdfA:
undetectable		 3keeA-2xdfA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 3keeA-2xqhA:
undetectable		 3keeA-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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ASP A 349
GLY A 395
PHE A 397
ALA A 385
ASP A 384
 None
 1.14A 3keeA-2xsgA:
undetectable		 3keeA-2xsgA:
13.35
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 GLY C 136
GLY C 101
SER C 133
ALA C 148
ASP C 146
 SF4  C1413 ( 3.8A)
None
None
None
None
 1.11A 3keeA-2ynmC:
undetectable		 3keeA-2ynmC:
16.82
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.
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
 1.05A 3keeA-3ajaA:
undetectable		 3keeA-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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A 229
ALA A 222
ALA A 223
CYH A 212
ASP A 219
 None
 1.05A 3keeA-3c24A:
undetectable		 3keeA-3c24A:
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.
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
 1.11A 3keeA-3ceaA:
undetectable		 3keeA-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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 HIS A 374
ASP A 348
GLY A 116
ALA A 376
ALA A 377
 VPR  A   1 ( 4.6A)
VPR  A   1 ( 4.5A)
None
None
None
 1.12A 3keeA-3g0iA:
undetectable		 3keeA-3g0iA:
18.84
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		5 HIS A 241
ASP A 188
PHE A 162
ALA A 161
ALA A 136
 SO4  A 259 ( 4.6A)
None
None
None
None
 1.11A 3keeA-3g7nA:
undetectable		 3keeA-3g7nA:
19.85
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.
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
 1.08A 3keeA-3gdiA:
undetectable		 3keeA-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.
3h8y MAJOR CARBOXYSOME
SHELL PROTEIN 1C

(Halothiobacillus
neapolitanus) 		PF00936
(BMC) 		5 GLY A  10
ALA A  26
ALA A  23
CYH A  68
ASP A  25
 None
 1.07A 3keeA-3h8yA:
undetectable		 3keeA-3h8yA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 3keeA-3heaA:
undetectable		 3keeA-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.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 GLY A 130
SER A 134
ALA A 278
ALA A 279
CYH A 319
 None
ACP  A 400 (-3.5A)
ACP  A 400 (-3.4A)
None
None
 1.02A 3keeA-3jvvA:
undetectable		 3keeA-3jvvA:
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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		6 GLY A  57
GLY A 102
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 1.31A 3keeA-3qkaA:
undetectable		 3keeA-3qkaA:
23.83
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.
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
 0.80A 3keeA-3qo6A:
14.5		 3keeA-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
 1.04A 3keeA-3r9uA:
undetectable		 3keeA-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)
 0.99A 3keeA-3s29A:
undetectable		 3keeA-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.
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 303
ALA A 439
 FRU  A 902 (-4.0A)
None
None
UDP  A 901 ( 2.9A)
FRU  A 902 ( 3.7A)
 1.11A 3keeA-3s29A:
undetectable		 3keeA-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
 1.14A 3keeA-3s6lA:
undetectable		 3keeA-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
 1.11A 3keeA-3s6lA:
undetectable		 3keeA-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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 GLY A  28
PHE A  16
ALA A  55
ALA A  69
ASP A  67
 None
GOL  A 401 ( 4.3A)
None
None
None
 1.13A 3keeA-3silA:
undetectable		 3keeA-3silA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 461
GLY A 502
ALA A 425
ALA A 426
CYH A 361
 None
 1.00A 3keeA-3sqgA:
undetectable		 3keeA-3sqgA:
15.89
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.
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
 0.71A 3keeA-3stjA:
14.4		 3keeA-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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 GLY A 173
GLY A  98
PHE A 216
ALA A 214
ASP A 215
 None
 1.15A 3keeA-3wp5A:
undetectable		 3keeA-3wp5A:
20.85
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		6 GLY A 241
GLY A 150
SER A 153
PHE A 296
ALA A 300
CYH A 304
 None
 1.21A 3keeA-4a01A:
undetectable		 3keeA-4a01A:
12.53
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.
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
 1.10A 3keeA-4cp8A:
undetectable		 3keeA-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.
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
 0.99A 3keeA-4eudA:
undetectable		 3keeA-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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A  51
GLY A  63
SER A  64
PHE A  68
ALA A 131
 CA  A 402 ( 4.7A)
None
CA  A 402 (-2.4A)
None
None
 1.05A 3keeA-4fcsA:
undetectable		 3keeA-4fcsA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 HIS A 123
ASP A  92
GLY A 332
SER A 334
ALA A 204
 ZN  A 506 ( 3.3A)
None
ACT  A 512 (-3.5A)
ZN  A 506 ( 2.2A)
ACT  A 512 ( 4.7A)
 0.99A 3keeA-4hvlA:
undetectable		 3keeA-4hvlA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3keeA-4iigA:
undetectable		 3keeA-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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		5 ASP A 338
GLY A 359
ALA A 342
ALA A 343
CYH A 345
 MG  A 601 (-2.6A)
None
None
None
None
 0.96A 3keeA-4ix3A:
undetectable		 3keeA-4ix3A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A   7
SER A  48
ALA A  56
ALA A  59
CYH A 181
 None
 1.10A 3keeA-4jwtA:
undetectable		 3keeA-4jwtA:
18.92
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 HIS A 123
ASP A  92
GLY A 332
SER A 334
ALA A 204
 None
 1.04A 3keeA-4kpgA:
undetectable		 3keeA-4kpgA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 HIS A 123
ASP A  92
GLY A 332
SER A 334
ALA A 204
 None
 0.96A 3keeA-4m1zA:
undetectable		 3keeA-4m1zA:
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.
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
 0.70A 3keeA-4mzdA:
undetectable		 3keeA-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)
 0.34A 3keeA-4nwkA:
30.9		 3keeA-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.
4ox8 CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 GLY A  11
ALA A  27
ALA A  24
CYH A  69
ASP A  26
 None
 1.10A 3keeA-4ox8A:
undetectable		 3keeA-4ox8A:
18.23
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.
4r7s TETRATRICOPEPTIDE
REPEAT PROTEIN

(Parabacteroides
merdae) 		PF13432
(TPR_16) 		5 GLY A  66
ARG A  99
ALA A 100
CYH A 132
ASP A 115
 None
None
None
EDO  A 307 ( 3.9A)
None
 1.09A 3keeA-4r7sA:
undetectable		 3keeA-4r7sA:
20.68
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
 1.00A 3keeA-4rbnA:
undetectable		 3keeA-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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 281
ALA A 248
ALA A 249
CYH A 257
ASP A 251
 None
 1.06A 3keeA-4rpfA:
undetectable		 3keeA-4rpfA:
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 GLY A 200
GLY A 225
ARG A  18
ALA A  12
CYH A 170
ASP A  14
 None
 1.41A 3keeA-4wv3A:
undetectable		 3keeA-4wv3A:
16.64
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.
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
 0.65A 3keeA-4x2xA:
11.6		 3keeA-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.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		5 GLY A 226
ALA A 189
ALA A 192
CYH A 196
ASP A 190
 None
 1.04A 3keeA-4y9aA:
undetectable		 3keeA-4y9aA:
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.
4z0m ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 GLY A  57
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 0.82A 3keeA-4z0mA:
undetectable		 3keeA-4z0mA:
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.
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
 0.99A 3keeA-5cykA:
undetectable		 3keeA-5cykA:
17.17
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		5 SER A 329
PHE A 330
ALA A 327
ALA A 324
ASP A 326
 None
 1.11A 3keeA-5e9hA:
undetectable		 3keeA-5e9hA:
17.69
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		5 GLY A 146
GLY A 149
ARG A 223
ALA A  51
ASP A  53
 None
 1.10A 3keeA-5eebA:
undetectable		 3keeA-5eebA:
19.11
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) 		10 HIS A1057
GLY A1058
ASP A1081
GLY A1137
PHE A1154
ARG A1155
ALA A1156
ALA A1157
CYH A1159
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 ( 3.5A)
5RS  A1203 ( 4.0A)
 0.37A 3keeA-5eqqA:
31.0		 3keeA-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
 0.90A 3keeA-5f8zA:
10.9		 3keeA-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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 485
GLY A 423
ALA A 491
ALA A 494
ASP A 492
 MAN  A1506 (-3.3A)
None
None
None
EDO  A1864 ( 4.8A)
 1.07A 3keeA-5fjiA:
undetectable		 3keeA-5fjiA:
11.61
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 GLY A  46
ARG A  52
ALA A 494
ALA A 493
ASP A 495
 None
 1.08A 3keeA-5glgA:
undetectable		 3keeA-5glgA:
16.31
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		5 GLY A 342
GLY A 384
PHE A 523
ALA A 394
ASP A 524
 None
 1.14A 3keeA-5jozA:
undetectable		 3keeA-5jozA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 3keeA-5kp7A:
undetectable		 3keeA-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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT BETA

(Nostoc sp. PCC
7120) 		no annotation 5 GLY B 117
ARG B  79
ALA B 101
ALA B 102
ASP B 105
 None
 1.12A 3keeA-5n3uB:
undetectable		 3keeA-5n3uB:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 HIS A 331
ASP A 304
GLY A 150
SER A 217
ALA A 239
 None
 1.11A 3keeA-5no5A:
undetectable		 3keeA-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)
 0.75A 3keeA-5to3B:
10.6		 3keeA-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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 HIS A  48
ASP A  46
GLY A 250
PHE A 279
ALA A 247
 None
 1.08A 3keeA-5tr7A:
undetectable		 3keeA-5tr7A:
17.87
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 GLY A 266
GLY A 129
SER A 130
PHE A  80
ALA A  81
 FAD  A 301 (-4.9A)
EDO  A 304 (-3.3A)
FAD  A 301 (-2.8A)
None
FAD  A 301 (-3.8A)
 1.13A 3keeA-5tr9A:
undetectable		 3keeA-5tr9A:
21.51
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY 2 521
SER 2 645
ARG 2 643
ALA 2 599
ASP 2 600
 None
 1.06A 3keeA-5udb2:
undetectable		 3keeA-5udb2:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 HIS A 226
ASP A 186
GLY A 384
SER A 386
ALA A 290
 None
 0.93A 3keeA-5vlhA:
undetectable		 3keeA-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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A 171
GLY A 170
GLY A  49
CYH A 131
ASP A 143
 None
None
None
FAD  A 501 (-3.6A)
None
 1.14A 3keeA-5vohA:
undetectable		 3keeA-5vohA:
16.22
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 10 HIS A  57
GLY A  58
ASP A  81
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157
CYH A 159
ASP A 168
 None
 0.50A 3keeA-5wdxA:
25.2		 3keeA-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.
6cao -

(-) 		no annotation 5 GLY K  76
GLY K 102
ALA K  68
ALA K  65
ASP K  67
 None
 1.10A 3keeA-6caoK:
undetectable		 3keeA-6caoK:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY A 226
GLY A 230
ALA A 221
ALA A 218
CYH A 179
 None
CL  A1001 (-3.2A)
None
None
None
 1.12A 3keeA-6coyA:
undetectable		 3keeA-6coyA:
20.48
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.
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
 1.07A 3keeA-6gk7H:
undetectable		 3keeA-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
VAL A 132
 None
 0.53A 3keeA-1cu1A:
32.1		 3keeA-1cu1A:
32.92
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) 		4 GLN A  41
PHE A  43
TYR A  56
VAL A 132
 None
 0.73A 3keeA-1ns3A:
32.7		 3keeA-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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		4 GLN A  46
PHE A  44
TYR A  63
VAL A  78
 None
 1.42A 3keeA-2iwaA:
0.0		 3keeA-2iwaA:
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.
4ll9 LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF00047
(ig) 		4 GLN A  47
PHE A  62
TYR A  38
VAL A  16
 None
 1.32A 3keeA-4ll9A:
1.7		 3keeA-4ll9A:
22.33
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		4 GLN A 313
PHE A 513
TYR A 507
VAL A 553
 None
 1.07A 3keeA-4mzdA:
0.0		 3keeA-4mzdA:
18.48
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLN A 168
PHE A 165
TYR A 141
VAL A 474
 None
 1.26A 3keeA-4yzwA:
0.0		 3keeA-4yzwA:
13.39
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 GLN A 354
PHE A 673
TYR A 676
VAL A 712
 None
 1.40A 3keeA-5h42A:
0.0		 3keeA-5h42A:
11.50
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 4 GLN A 314
PHE A 311
TYR A 303
VAL A 145
 None
FAD  A 500 (-4.6A)
None
None
 1.50A 3keeA-5nmwA:
0.0		 3keeA-5nmwA:
19.17
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.
5xs7 HEAVY CHAIN OF FAB
1D5
LIGHT CHAIN OF FAB
1D5

(Mus musculus) 		PF07686
(V-set) 		4 GLN L 105
PHE H 115
TYR H 112
VAL L  71
 None
 1.21A 3keeA-5xs7L:
undetectable		 3keeA-5xs7L:
18.85