SIMILAR PATTERNS OF AMINO ACIDS FOR 4MMD_B_29EB603

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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 ASP B1698
PRO B1745
TYR B1750
SER B1739
GLY B1771
 None
None
None
None
CYG  B1769 ( 4.1A)
 1.11A 4mmdB-1a9xB:
undetectable		 4mmdB-1a9xB:
22.42
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		5 ALA 1 254
GLY 3  63
PHE 2 156
SER 1 268
GLY 1 266
 None
 1.00A 4mmdB-1bev1:
undetectable		 4mmdB-1bev1:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 VAL A 540
ALA A 541
GLY A 453
SER A 490
GLY A 538
 None
 1.15A 4mmdB-1biyA:
undetectable		 4mmdB-1biyA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 ASP A  48
VAL A 211
ALA A 220
TYR A 219
GLY A  92
 CA  A 701 (-2.2A)
None
None
None
None
 1.01A 4mmdB-1dbiA:
0.2		 4mmdB-1dbiA:
21.40
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.
1fi8 ECOTIN
NATURAL KILLER CELL
PROTEASE 1

(Escherichia
coli;
Rattus
norvegicus) 		PF00089
(Trypsin)
PF03974
(Ecotin) 		5 ASP C  84
VAL A 138
GLY A 142
SER A 195
GLY A 197
 None
 1.17A 4mmdB-1fi8C:
undetectable		 4mmdB-1fi8C:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 PRO A  65
VAL A 296
ALA A 298
PHE A  87
GLY A  67
 None
None
NAG  A1536 ( 4.6A)
None
None
 1.10A 4mmdB-1gz7A:
1.0		 4mmdB-1gz7A:
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.
1hzf COMPLEMENT FACTOR
C4A

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 ALA A1005
TYR A1008
GLY A1274
PHE A1280
SER A 977
 None
 0.90A 4mmdB-1hzfA:
1.8		 4mmdB-1hzfA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i36 CONSERVED
HYPOTHETICAL PROTEIN
MTH1747

(Methanothermobacter
thermautotrophicus) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ASP A  86
VAL A  11
ALA A  12
SER A  62
GLY A   7
 None
NAP  A1350 (-3.8A)
None
None
NAP  A1350 (-3.4A)
 1.16A 4mmdB-1i36A:
0.8		 4mmdB-1i36A:
20.20
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.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 TYR A 398
ALA A 300
TYR A 303
PHE A 295
GLY A 394
 None
 1.09A 4mmdB-1np7A:
0.0		 4mmdB-1np7A:
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.
1o4s ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 PRO A  89
VAL A  92
TYR A 245
GLY A  80
GLY A  74
 None
 0.88A 4mmdB-1o4sA:
0.0		 4mmdB-1o4sA:
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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 PRO A 198
VAL A 210
ALA A 209
TYR A 225
GLY A 139
GLY A  42
 None
ARG  A 703 (-4.5A)
None
None
None
None
 1.48A 4mmdB-1pq5A:
undetectable		 4mmdB-1pq5A:
19.69
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.
1qhk PROTEIN
(RIBONUCLEASE HI)

(Saccharomyces
cerevisiae) 		PF01693
(Cauli_VI) 		5 VAL A  11
ALA A  10
TYR A  20
TYR A   9
GLY A  35
 None
 1.04A 4mmdB-1qhkA:
undetectable		 4mmdB-1qhkA:
6.84
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.
1vr4 HYPOTHETICAL PROTEIN
APC22750

(Bacillus cereus) 		PF01906
(YbjQ_1) 		5 VAL A  94
ALA A  95
TYR A  84
SER A  97
GLY A  23
 None
 1.12A 4mmdB-1vr4A:
undetectable		 4mmdB-1vr4A:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 VAL A 372
GLY A 307
SER A 398
SER A 397
GLY A 401
 None
None
CA  A 602 ( 3.7A)
None
None
 1.18A 4mmdB-1xhbA:
undetectable		 4mmdB-1xhbA:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ALA A 617
TYR A 614
GLY A 246
PHE A 247
GLY A 624
 None
 1.10A 4mmdB-1xjeA:
undetectable		 4mmdB-1xjeA:
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.
1y0l CATALYTIC ANTIBODY
FAB 34E4 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		no annotation 5 PRO H  14
VAL H 111
ALA H  12
SER H  82
GLY H  16
 None
 1.20A 4mmdB-1y0lH:
undetectable		 4mmdB-1y0lH:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 VAL A 540
TYR A 541
GLY A 593
SER A 624
GLY A 627
 None
 1.15A 4mmdB-1z68A:
undetectable		 4mmdB-1z68A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 VAL A 262
ALA A 272
TYR A 271
GLY A 241
SER A 311
 None
BI1  A1000 (-3.4A)
None
None
None
 1.17A 4mmdB-1zrzA:
undetectable		 4mmdB-1zrzA:
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A   8
VAL A  65
TYR A  68
SER A  49
GLY A  82
 None
 1.00A 4mmdB-2a9vA:
undetectable		 4mmdB-2a9vA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 VAL A 546
TYR A 547
GLY A 599
SER A 630
GLY A 633
 None
SO4  A1769 ( 4.5A)
NDG  A1685 (-4.6A)
SO4  A1769 ( 3.0A)
None
 1.01A 4mmdB-2bucA:
undetectable		 4mmdB-2bucA:
21.20
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.
2cdp BETA-AGARASE 1

(Saccharophagus
degradans) 		PF03422
(CBM_6) 		5 TYR A  63
VAL A 108
PHE A  76
SER A  62
GLY A 105
 None
CL  A1144 ( 4.2A)
None
None
EDO  A1141 (-4.0A)
 1.04A 4mmdB-2cdpA:
undetectable		 4mmdB-2cdpA:
14.20
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		5 ALA A 180
TYR A 200
GLY A 102
SER A 154
GLY A 152
 None
None
None
PLP  A1390 ( 2.4A)
None
 0.88A 4mmdB-2ch1A:
undetectable		 4mmdB-2ch1A:
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.
2cq0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT 4

(Homo sapiens) 		PF00076
(RRM_1) 		5 ASP A 273
ALA A 283
TYR A 269
SER A 279
GLY A 281
 None
 1.15A 4mmdB-2cq0A:
undetectable		 4mmdB-2cq0A:
11.35
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 ASP A 201
ALA A 231
GLY A 138
SER A 200
GLY A 235
 None
 1.12A 4mmdB-2cy8A:
undetectable		 4mmdB-2cy8A:
22.41
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 VAL A 517
TYR A 518
GLY A 572
SER A 603
GLY A 606
 None
 1.08A 4mmdB-2d5lA:
undetectable		 4mmdB-2d5lA:
21.79
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 PRO A 133
ALA A 144
GLY A  86
SER A 147
GLY A 126
 None
 1.19A 4mmdB-2dc0A:
0.3		 4mmdB-2dc0A:
21.97
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 PRO A 284
VAL A 279
ALA A 287
TYR A 288
GLY A 237
 GOL  A 761 (-4.0A)
None
None
None
GOL  A 761 (-3.7A)
 1.19A 4mmdB-2e8yA:
undetectable		 4mmdB-2e8yA:
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.
2eg3 PROBABLE THIOSULFATE
SULFURTRANSFERASE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		5 ASP A 136
PRO A 227
ALA A 129
GLY A 156
SER A 161
 None
 1.04A 4mmdB-2eg3A:
undetectable		 4mmdB-2eg3A:
17.88
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.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN
ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans)
PF03255
(ACCA) 		5 ALA A 180
TYR A 140
GLY B 204
PHE B 227
SER B 209
 None
 1.19A 4mmdB-2f9yA:
undetectable		 4mmdB-2f9yA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jr0 N UTILIZATION
SUBSTANCE PROTEIN B
HOMOLOG

(Aquifex
aeolicus) 		PF01029
(NusB) 		5 ALA A 133
TYR A 131
TYR A 134
SER A 138
SER A 137
 None
 1.14A 4mmdB-2jr0A:
undetectable		 4mmdB-2jr0A:
18.41
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.
2lfu GNA2132

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D) 		5 ALA A 341
TYR A 319
GLY A 403
PHE A 420
GLY A 321
 None
 1.19A 4mmdB-2lfuA:
undetectable		 4mmdB-2lfuA:
15.52
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.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 ALA A 193
TYR A 218
SER A 196
SER A 195
GLY A 178
 None
OCT  A1347 (-4.6A)
None
None
None
 1.01A 4mmdB-2xe5A:
undetectable		 4mmdB-2xe5A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526

(Sulfurisphaera
tokodaii) 		PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5) 		5 VAL A 294
ALA A 295
GLY A 317
PHE A 318
GLY A 324
 None
 1.16A 4mmdB-3ajeA:
undetectable		 4mmdB-3ajeA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjr PUTATIVE
CARBOXYLESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 TYR A  18
VAL A  47
ALA A  48
GLY A  17
SER A  52
 None
GOL  A 265 (-3.9A)
GOL  A 265 (-3.3A)
None
None
 1.06A 4mmdB-3bjrA:
undetectable		 4mmdB-3bjrA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp7 ALKALINE SERINE
PROTEASE AL20

(Nesterenkonia
aethiopica) 		PF13365
(Trypsin_2) 		5 VAL A  12
GLY A  40
SER A 169
SER A 168
GLY A 171
 None
None
FMT  A 219 (-2.6A)
None
None
 1.14A 4mmdB-3cp7A:
undetectable		 4mmdB-3cp7A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctd PUTATIVE ATPASE, AAA
FAMILY

(Prochlorococcus
marinus) 		PF12002
(MgsA_C)
PF16193
(AAA_assoc_2) 		6 ASP A 311
VAL A 318
ALA A 340
TYR A 343
GLY A 308
SER A 347
 None
 1.43A 4mmdB-3ctdA:
undetectable		 4mmdB-3ctdA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 169
GLY A 312
SER A 403
SER A 171
GLY A 405
 None
None
K  A 601 ( 4.5A)
None
None
 1.19A 4mmdB-3e60A:
undetectable		 4mmdB-3e60A:
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.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 PRO A 226
VAL A 254
TYR A 251
SER A 222
GLY A 224
 None
 0.99A 4mmdB-3fysA:
undetectable		 4mmdB-3fysA:
21.82
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		5 ASP A   3
PRO A  14
VAL A  17
ALA A  18
GLY A 195
 None
 0.99A 4mmdB-3gg7A:
undetectable		 4mmdB-3gg7A:
20.31
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		5 PRO A 214
VAL A 217
ALA A 218
TYR A 221
GLY A  18
 PRO  A 214 ( 1.1A)
VAL  A 217 ( 0.6A)
ALA  A 218 ( 0.0A)
TYR  A 221 ( 1.3A)
GLY  A  18 ( 0.0A)
 0.89A 4mmdB-3h7aA:
undetectable		 4mmdB-3h7aA:
19.88
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 ASP A 152
ALA A 129
GLY A 246
SER A 122
GLY A 124
 FE  A 306 ( 2.5A)
None
None
None
None
 1.17A 4mmdB-3hc1A:
undetectable		 4mmdB-3hc1A:
23.47
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.
3ift GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Mycobacterium
tuberculosis) 		PF01597
(GCV_H) 		5 ASP A 104
VAL A  52
ALA A  51
SER A  79
GLY A  49
 None
 1.18A 4mmdB-3iftA:
undetectable		 4mmdB-3iftA:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1z HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13419
(HAD_2) 		5 ASP A 138
PRO A  61
TYR A  53
SER A  71
GLY A  64
 None
 1.09A 4mmdB-3k1zA:
undetectable		 4mmdB-3k1zA:
18.94
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 TYR A 408
PRO A 430
PHE A 376
SER A 379
GLY A 432
 None
 1.17A 4mmdB-3komA:
undetectable		 4mmdB-3komA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lhf SERINE RECOMBINASE

(Sulfolobus
solfataricus) 		PF00239
(Resolvase) 		5 ASP A  91
PRO A 123
VAL A 120
ALA A 121
GLY A  95
 None
 1.11A 4mmdB-3lhfA:
undetectable		 4mmdB-3lhfA:
13.02
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 VAL A 558
GLY A 599
SER A 561
SER A 514
GLY A 513
 None
 1.16A 4mmdB-3lk6A:
undetectable		 4mmdB-3lk6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 ASP A  10
VAL A 105
ALA A 106
SER A 108
GLY A 132
 GOL  A 303 ( 3.8A)
None
None
None
None
 1.10A 4mmdB-3mc1A:
undetectable		 4mmdB-3mc1A:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		8 PRO A 101
VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 355
SER A 356
 None
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.49A 4mmdB-3mpnA:
60.4		 4mmdB-3mpnA:
98.62
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ASP A  82
PRO A   5
ALA A  32
SER A  34
GLY A  36
 None
 1.17A 4mmdB-3r9sA:
undetectable		 4mmdB-3r9sA:
20.61
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		5 ASP A  13
VAL A 107
ALA A 108
SER A 110
GLY A 134
 None
None
None
None
GOL  A 221 (-4.2A)
 1.02A 4mmdB-3sd7A:
undetectable		 4mmdB-3sd7A:
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.
3tg9 PENICILLIN-BINDING
PROTEIN

(Bacillus
halodurans) 		PF00144
(Beta-lactamase) 		5 ASP A 234
ALA A 200
GLY A 188
PHE A 190
GLY A  50
 None
 1.08A 4mmdB-3tg9A:
undetectable		 4mmdB-3tg9A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u07 UNCHARACTERIZED
PROTEIN VPA0106

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 VAL A 157
ALA A 140
GLY A 117
SER A 227
GLY A 226
 None
 1.18A 4mmdB-3u07A:
undetectable		 4mmdB-3u07A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v6o MONOCLONAL ANTIBODY
9F8 FAB FRAGMENT
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASP C  85
VAL C  14
ALA C  15
SER C  86
SER C  17
 None
 1.07A 4mmdB-3v6oC:
undetectable		 4mmdB-3v6oC:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 VAL A 173
ALA A 174
GLY A 127
SER A 124
GLY A 148
 IYR  A  91 ( 3.8A)
IYR  A  91 ( 3.7A)
None
None
None
 1.18A 4mmdB-3vn3A:
undetectable		 4mmdB-3vn3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 VAL A 635
ALA A 636
TYR A 690
GLY A 648
SER A 639
 None
 1.15A 4mmdB-3vu2A:
undetectable		 4mmdB-3vu2A:
21.83
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 VAL A 596
ALA A 482
TYR A 484
GLY A 567
GLY A 486
 None
 1.14A 4mmdB-3zukA:
undetectable		 4mmdB-3zukA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 469
ALA A 472
GLY A 353
SER A 420
SER A 423
 None
 1.19A 4mmdB-3zz1A:
undetectable		 4mmdB-3zz1A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 PRO A 650
ALA A 648
TYR A 638
GLY A 716
GLY A 725
 None
 0.79A 4mmdB-4btpA:
1.9		 4mmdB-4btpA:
21.41
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 PRO A 650
VAL A 636
ALA A 648
TYR A 638
GLY A 725
 None
 0.92A 4mmdB-4btpA:
1.9		 4mmdB-4btpA:
21.41
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 950
ALA A 951
TYR A 890
TYR A 888
GLY A 920
 None
None
EDO  A2026 ( 4.1A)
None
None
 1.01A 4mmdB-4cu8A:
undetectable		 4mmdB-4cu8A:
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.
4ezb UNCHARACTERIZED
CONSERVED PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ASP A  96
ALA A  13
GLY A  74
SER A  70
GLY A   8
 None
 1.18A 4mmdB-4ezbA:
undetectable		 4mmdB-4ezbA:
22.09
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.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 VAL A 100
GLY A 248
SER A  93
SER A  94
GLY A  95
 None
 1.18A 4mmdB-4g1uA:
undetectable		 4mmdB-4g1uA:
23.51
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.
4hr6 LECTIN

(Trichosanthes
anguina) 		PF00652
(Ricin_B_lectin) 		5 ASP C  16
TYR C 176
GLY C 211
SER C 177
GLY C 179
 None
 1.13A 4mmdB-4hr6C:
undetectable		 4mmdB-4hr6C:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrn RHOPTRY KINASE
FAMILY PROTEIN

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ASP A 535
VAL A 384
GLY A 197
SER A 391
SER A 390
 None
 1.17A 4mmdB-4jrnA:
undetectable		 4mmdB-4jrnA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 PRO A 117
VAL A 118
SER A 113
SER A 112
GLY A 115
 None
 1.08A 4mmdB-4k05A:
undetectable		 4mmdB-4k05A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		5 VAL A 390
TYR A 378
GLY A 437
SER A 412
GLY A 376
 None
 1.10A 4mmdB-4mq0A:
undetectable		 4mmdB-4mq0A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ALA A  62
TYR A  61
GLY A  44
SER A  47
GLY A  53
 None
 0.99A 4mmdB-4ohnA:
undetectable		 4mmdB-4ohnA:
20.38
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		5 ASP A 303
VAL A 167
ALA A 120
TYR A  32
GLY A  30
 GOL  A 622 (-2.6A)
None
None
None
None
 0.95A 4mmdB-4pspA:
undetectable		 4mmdB-4pspA:
23.29
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 TYR A 133
ALA A 320
TYR A 319
PHE A 310
SER A 316
 None
 1.10A 4mmdB-4rkmA:
undetectable		 4mmdB-4rkmA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 ASP A  46
GLY A 322
PHE A 325
SER A 421
SER A 422
GLY A 425
 41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
None
41U  A 605 ( 3.7A)
 0.82A 4mmdB-4xnuA:
41.0		 4mmdB-4xnuA:
29.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 ASP A  46
TYR A 124
GLY A 322
SER A 421
SER A 422
GLY A 424
 41U  A 605 ( 3.3A)
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
None
None
 1.23A 4mmdB-4xnuA:
41.0		 4mmdB-4xnuA:
29.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		8 ASP A  46
VAL A 120
TYR A 123
TYR A 124
GLY A 322
SER A 421
SER A 422
GLY A 425
 41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
None
41U  A 605 ( 3.7A)
 0.72A 4mmdB-4xnuA:
41.0		 4mmdB-4xnuA:
29.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 VAL A 404
ALA A 405
GLY A 420
SER A 385
GLY A 407
 None
None
None
None
49S  A 814 (-3.5A)
 1.19A 4mmdB-4y9vA:
undetectable		 4mmdB-4y9vA:
20.38
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.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Oceanimonas
doudoroffii) 		PF00171
(Aldedh) 		5 TYR A 110
VAL A 164
ALA A  65
GLY A 464
GLY A 113
 None
 1.13A 4mmdB-4zz7A:
undetectable		 4mmdB-4zz7A:
22.26
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.
5b5h ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 VAL A 173
ALA A 174
GLY A 127
SER A 124
GLY A 148
 None
 1.18A 4mmdB-5b5hA:
undetectable		 4mmdB-5b5hA:
20.20
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.
5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN

(Homo sapiens) 		PF00782
(DSPc)
PF10409
(PTEN_C2) 		5 PRO A 190
VAL A 191
ALA A 192
PHE A 278
GLY A 251
 None
 1.15A 4mmdB-5bugA:
undetectable		 4mmdB-5bugA:
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.
5che GLUTAMYL-TRNA
REDUCTASE-BINDING
PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF10615
(DUF2470) 		5 PRO C 101
VAL C  95
ALA C  94
SER C  72
SER C  73
 None
 0.92A 4mmdB-5cheC:
undetectable		 4mmdB-5cheC:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 TYR A 431
ALA A 298
GLY A 433
SER A 349
SER A 350
 None
 1.20A 4mmdB-5cm9A:
0.8		 4mmdB-5cm9A:
23.84
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.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		5 ASP A  15
VAL A 121
GLY A 126
SER A 129
GLY A 137
 None
 1.21A 4mmdB-5dudA:
undetectable		 4mmdB-5dudA:
20.92
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
 None
 1.01A 4mmdB-5epgA:
undetectable		 4mmdB-5epgA:
18.12
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.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 ALA A 193
TYR A 217
SER A 196
SER A 195
GLY A 177
 None
 0.98A 4mmdB-5fvnA:
undetectable		 4mmdB-5fvnA:
21.74
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 ASP E 137
ALA E  22
GLY E 132
PHE E  17
GLY E  39
 None
 1.18A 4mmdB-5h36E:
undetectable		 4mmdB-5h36E:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 ASP A 624
GLY A 656
PHE A 631
SER A 626
GLY A 629
 None
 1.03A 4mmdB-5hamA:
undetectable		 4mmdB-5hamA:
20.38
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		5 VAL A1423
ALA A1422
TYR A1496
TYR A1498
SER A1007
 None
 1.20A 4mmdB-5hccA:
4.1		 4mmdB-5hccA:
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 TYR A 149
VAL A 180
ALA A 160
SER A 151
GLY A 162
 None
 1.17A 4mmdB-5ho9A:
undetectable		 4mmdB-5ho9A:
21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		6 TYR A  95
ASP A  98
ALA A 169
GLY A 338
SER A 438
GLY A 442
 None
 1.37A 4mmdB-5i6zA:
42.3		 4mmdB-5i6zA:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		9 TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
GLY A 338
SER A 438
SER A 439
GLY A 442
 None
 0.82A 4mmdB-5i6zA:
42.3		 4mmdB-5i6zA:
31.21
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.
5nns GLYCOSYL HYDROLASE
FAMILY 61, 2 PROTEIN

(Heterobasidion
irregulare) 		no annotation 5 VAL A 175
ALA A  66
SER A 143
SER A 142
GLY A 178
 None
 1.12A 4mmdB-5nnsA:
undetectable		 4mmdB-5nnsA:
9.75
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.
5szn PROTOCADHERIN GAMMA
A9

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 TYR A 187
VAL A 183
ALA A 198
SER A 195
SER A 196
 MAN  A 601 (-4.7A)
None
None
MAN  A 601 (-1.4A)
None
 1.02A 4mmdB-5sznA:
undetectable		 4mmdB-5sznA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukp DH522.1 FAB FRAGMENT
HEAVY CHAIN

(Macaca mulatta) 		no annotation 5 ASP H  32
TYR H  97
GLY H  52
SER H  96
GLY H  95
 None
 1.08A 4mmdB-5ukpH:
undetectable		 4mmdB-5ukpH:
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.
5usd PEPTIDASE S66

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 ALA A 293
TYR A 188
PHE A 226
SER A 296
GLY A 263
 None
 1.02A 4mmdB-5usdA:
undetectable		 4mmdB-5usdA:
20.61
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.
5w1k CR1-10 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 TYR D  34
ASP D 103
SER D  33
SER D  32
GLY D  31
 None
 1.21A 4mmdB-5w1kD:
undetectable		 4mmdB-5w1kD:
10.42
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.
5wi9 -

(-) 		no annotation 5 PRO A 242
VAL A 245
ALA A 246
TYR A 250
GLY A 270
 None
 1.20A 4mmdB-5wi9A:
undetectable		 4mmdB-5wi9A:
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.
5xuk HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Helicobacter
pylori) 		no annotation 5 VAL A   7
ALA A 108
PHE A  47
SER A  41
GLY A  45
 None
 1.18A 4mmdB-5xukA:
undetectable		 4mmdB-5xukA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 PRO A2599
VAL A2602
ALA A2603
TYR A2606
SER A2575
 None
 1.20A 4mmdB-5y4dA:
undetectable		 4mmdB-5y4dA:
20.22
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.
5y4f ANKYRIN-2

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 PRO A 598
VAL A 601
ALA A 602
TYR A 605
SER A 574
 None
 1.14A 4mmdB-5y4fA:
undetectable		 4mmdB-5y4fA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A  45
ALA A  41
GLY A  13
SER A  38
GLY A  39
 GOL  A 301 ( 4.9A)
None
None
None
None
 1.21A 4mmdB-5y8pA:
0.7		 4mmdB-5y8pA:
11.88
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.
6ehn CARBOHYDRATE
ESTERASE MZ0003

(unidentified
prokaryotic
organism) 		no annotation 5 PRO A  20
VAL A 350
ALA A 349
TYR A 351
GLY A 346
 None
 1.20A 4mmdB-6ehnA:
undetectable		 4mmdB-6ehnA:
9.29
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PRO A 319
ALA A 322
GLY A  33
PHE A  34
GLY A 113
 None
 1.09A 4mmdB-6eu6A:
undetectable		 4mmdB-6eu6A:
10.48
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.
6f39 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		no annotation 5 ASP A 226
TYR A 197
GLY A 252
PHE A 223
SER A 278
 CA  A 303 (-3.2A)
None
None
None
CA  A 303 ( 3.8A)
 1.10A 4mmdB-6f39A:
undetectable		 4mmdB-6f39A:
9.43