SIMILAR PATTERNS OF AMINO ACIDS FOR 4WH5_A_3QBA204

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.
1c7k ZINC ENDOPROTEASE

(Streptomyces
caespitosus) 		PF02031
(Peptidase_M7) 		5 ASP A  68
GLY A  52
ASP A  49
PHE A  14
GLN A  71
 None
 1.37A 4wh5A-1c7kA:
0.2		 4wh5A-1c7kA:
19.23
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 GLY A  59
HIS A 109
PHE A  73
ILE A  68
HIS A 175
 None
None
None
None
GOL  A1450 (-4.4A)
 1.36A 4wh5A-1h4pA:
0.0		 4wh5A-1h4pA:
18.11
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.
1k5c ENDOPOLYGALACTURONAS
E

(Chondrostereum
purpureum) 		PF00295
(Glyco_hydro_28) 		5 ASP A 153
ASP A 174
ASP A 156
ALA A 119
HIS A 150
 None
 1.07A 4wh5A-1k5cA:
undetectable		 4wh5A-1k5cA:
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 ASP L 330
HIS L 334
PHE L 328
ILE L 282
ALA L 269
 None
 1.31A 4wh5A-1kfuL:
0.0		 4wh5A-1kfuL:
13.18
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.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 314
HIS A 283
PHE A 298
ILE A 317
ALA A 339
 None
 1.08A 4wh5A-1p43A:
0.0		 4wh5A-1p43A:
17.79
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 PHE A 267
ALA A 159
GLN A 155
PHE A 164
HIS A 171
 None
 1.21A 4wh5A-1szqA:
0.0		 4wh5A-1szqA:
13.66
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.
1t34 ATRIAL NATRIURETIC
PEPTIDE RECEPTOR A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY A 245
PHE A 274
PHE A 388
ILE A 279
PHE A 219
 None
 1.28A 4wh5A-1t34A:
0.0		 4wh5A-1t34A:
17.14
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.
1tc5 PROBABLE EUKARYOTIC
D-AMINO ACID TRNA
DEACYLASE,
LMAJ005534AAA

(Leishmania
major) 		PF02580
(Tyr_Deacylase) 		5 GLY A  35
ASP A  93
GLN A  20
PHE A 182
HIS A  22
 None
 1.32A 4wh5A-1tc5A:
undetectable		 4wh5A-1tc5A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 GLY A1053
PHE A1135
ALA A1061
GLN A1071
HIS A1057
 None
 1.35A 4wh5A-1ux6A:
0.0		 4wh5A-1ux6A:
18.69
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.
1vim HYPOTHETICAL PROTEIN
AF1796

(Archaeoglobus
fulgidus) 		PF01380
(SIS) 		5 GLY A 103
ASP A  76
ASP A  78
PHE A  38
ILE A  74
 None
 1.38A 4wh5A-1vimA:
undetectable		 4wh5A-1vimA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vr9 CBS DOMAIN
PROTEIN/ACT DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF00571
(CBS) 		5 ASP A  77
HIS A  81
ILE A  79
ALA A 115
PHE A 112
 None
 1.38A 4wh5A-1vr9A:
undetectable		 4wh5A-1vr9A:
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.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 143
ILE A 165
ALA A 155
PHE A 147
HIS A 200
 None
 1.22A 4wh5A-1wwkA:
undetectable		 4wh5A-1wwkA:
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A 261
PHE A 266
ILE A 272
ALA A 314
GLN A 329
 None
 1.37A 4wh5A-1zapA:
undetectable		 4wh5A-1zapA:
20.81
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.
2c6r DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		5 GLY A 112
ASP A 111
ILE A 117
ALA A  61
GLN A  60
 None
 1.34A 4wh5A-2c6rA:
undetectable		 4wh5A-2c6rA:
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.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 173
ASP A 196
PHE A 209
ILE A 171
ALA A 181
 None
 1.33A 4wh5A-2eezA:
undetectable		 4wh5A-2eezA:
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ASP A 330
ASP A 329
PHE A 504
ILE A 331
ALA A 266
 MN  A1701 (-2.3A)
None
None
None
None
 1.27A 4wh5A-2fafA:
undetectable		 4wh5A-2fafA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fxt IMPORT INNER
MEMBRANE TRANSLOCASE
SUBUNIT TIM44

(Saccharomyces
cerevisiae) 		PF04280
(Tim44) 		5 GLY A 308
ASP A 309
PHE A 422
PHE A 317
GLN A 329
 None
 1.31A 4wh5A-2fxtA:
undetectable		 4wh5A-2fxtA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 GLY A 217
ASP A 182
PHE A 165
PHE A 180
HIS A 214
 None
2PO  A1002 (-4.3A)
None
None
None
 1.17A 4wh5A-2invA:
undetectable		 4wh5A-2invA:
15.87
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB

(Methanothermobacter
thermautotrophicus) 		PF01641
(SelR) 		5 GLY A  63
ASP A  62
ASP A  61
HIS A  60
ALA A  14
 None
 1.41A 4wh5A-2k8dA:
undetectable		 4wh5A-2k8dA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 202
ASP A 196
PHE A 476
ILE A 198
ALA A 470
 None
 1.41A 4wh5A-2okjA:
undetectable		 4wh5A-2okjA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 530
ILE A 523
ALA A 538
GLN A 537
PHE A 535
 None
 1.26A 4wh5A-2panA:
undetectable		 4wh5A-2panA:
13.84
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 GLY A1073
PHE A1155
ALA A1081
GLN A1091
HIS A1077
 None
 1.30A 4wh5A-2rhpA:
undetectable		 4wh5A-2rhpA:
12.24
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.
2sas SARCOPLASMIC
CALCIUM-BINDING
PROTEIN

(Branchiostoma
lanceolatum) 		PF13833
(EF-hand_8) 		5 ASP A  30
ASP A  33
ASP A  19
PHE A  14
ILE A  26
 CA  A 186 ( 2.1A)
None
CA  A 186 ( 3.1A)
None
None
 1.32A 4wh5A-2sasA:
undetectable		 4wh5A-2sasA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 ASP A 435
HIS A 401
PHE A 376
ILE A 437
ALA A 356
 None
 1.34A 4wh5A-2ykyA:
undetectable		 4wh5A-2ykyA:
14.81
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.
2yro GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 GLY A  28
ILE A 132
ALA A  59
PHE A 126
HIS A 124
 None
 1.09A 4wh5A-2yroA:
undetectable		 4wh5A-2yroA:
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.
2zbw THIOREDOXIN
REDUCTASE

(Thermus
thermophilus) 		PF07992
(Pyr_redox_2) 		5 GLY A  12
ASP A  35
PHE A  31
ILE A  10
ALA A  20
 FAD  A1002 (-3.0A)
FAD  A1002 (-2.6A)
None
None
None
 1.10A 4wh5A-2zbwA:
undetectable		 4wh5A-2zbwA:
19.30
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ASP A 297
ASP A 296
PHE A 470
ILE A 298
ALA A 233
 None
 1.25A 4wh5A-2zciA:
undetectable		 4wh5A-2zciA:
12.69
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.
3a0h PHOTOSYSTEM II CP43
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		5 GLY C 235
PHE C 181
ILE C 199
ALA C 179
HIS C 237
 None
None
None
None
CLA  C1025 (-3.7A)
 1.42A 4wh5A-3a0hC:
undetectable		 4wh5A-3a0hC:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A  58
ASP A 106
ILE A 133
ALA A 128
PHE A 131
 None
 1.39A 4wh5A-3a8kA:
undetectable		 4wh5A-3a8kA:
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 GLY A 340
ASP A 341
HIS A 110
PHE A 130
ALA A  77
 None
MG  A 484 (-2.0A)
EDO  A 494 (-4.0A)
None
None
 1.19A 4wh5A-3b9tA:
undetectable		 4wh5A-3b9tA:
15.24
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.
3dao PUTATIVE PHOSPHATE

([Eubacterium]
rectale) 		PF08282
(Hydrolase_3) 		5 ASP A 146
PHE A 111
ILE A 147
ALA A 106
PHE A 113
 None
 1.33A 4wh5A-3daoA:
undetectable		 4wh5A-3daoA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 GLY A 238
HIS A 143
PHE A 146
ILE A 252
PHE A 287
 None
 1.33A 4wh5A-3dcdA:
undetectable		 4wh5A-3dcdA:
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLY A 180
ASP A 222
PHE A 207
ILE A 182
HIS A 123
 None
None
None
None
FE  A 310 (-3.3A)
 1.36A 4wh5A-3dcpA:
undetectable		 4wh5A-3dcpA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 GLY A 170
ASP A 156
ILE A 168
ALA A 144
HIS A 149
 TRP  A 505 (-4.8A)
None
None
None
ZN  A 503 ( 3.3A)
 1.37A 4wh5A-3dslA:
undetectable		 4wh5A-3dslA:
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		5 ASP A  50
HIS A  49
PHE A 102
ILE A  75
ALA A  88
 None
ZN  A 301 ( 3.3A)
None
None
None
 1.42A 4wh5A-3e0fA:
0.9		 4wh5A-3e0fA:
18.73
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.
3g4s 50S RIBOSOMAL
PROTEIN L6P

(Haloarcula
marismortui) 		PF00347
(Ribosomal_L6) 		5 GLY E  44
ASP E  43
PHE E  73
ILE E   7
ALA E  13
 None
 1.41A 4wh5A-3g4sE:
undetectable		 4wh5A-3g4sE:
21.69
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		5 GLY A 290
ALA A 297
GLN A 246
PHE A 243
HIS A 286
 None
 1.29A 4wh5A-3g9wA:
undetectable		 4wh5A-3g9wA:
18.61
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		5 GLY A 290
PHE A 199
ALA A 297
GLN A 246
HIS A 286
 None
 1.38A 4wh5A-3g9wA:
undetectable		 4wh5A-3g9wA:
18.61
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		5 PHE A 261
PHE A 283
ALA A 245
GLN A 246
PHE A 249
 None
 1.08A 4wh5A-3g9wA:
undetectable		 4wh5A-3g9wA:
18.61
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.
3gha DISULFIDE BOND
FORMATION PROTEIN D

(Bacillus
subtilis) 		PF13462
(Thioredoxin_4) 		5 ASP A  66
GLY A  65
HIS A 103
ALA A 111
HIS A 129
 None
None
None
None
EDO  A 301 (-3.8A)
 1.33A 4wh5A-3ghaA:
undetectable		 4wh5A-3ghaA:
22.17
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 GLY A 379
ASP A 438
PHE A 431
GLN A  85
PHE A  62
 None
 1.21A 4wh5A-3gipA:
undetectable		 4wh5A-3gipA:
16.30
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.
3hdb AAHIV

(Deinagkistrodon
acutus) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 GLY A 358
ASP A 344
ILE A 356
ALA A 332
HIS A 337
 None
None
None
None
ZN  A 620 (-3.3A)
 1.30A 4wh5A-3hdbA:
undetectable		 4wh5A-3hdbA:
16.18
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 GLY A1523
ASP A1509
PHE A1551
ALA A1520
HIS A1475
 None
 1.31A 4wh5A-3hrrA:
undetectable		 4wh5A-3hrrA:
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		5 GLY A 100
ASP A  44
PHE A 255
ILE A 124
ALA A 144
 None
 1.25A 4wh5A-3i09A:
undetectable		 4wh5A-3i09A:
16.48
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.
3isp HTH-TYPE
TRANSCRIPTIONAL
REGULATOR
RV1985C/MT2039

(Mycobacterium
tuberculosis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 ASP A 203
PHE A 182
PHE A 210
ILE A 214
ALA A 188
 None
 1.30A 4wh5A-3ispA:
undetectable		 4wh5A-3ispA:
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.
3ivf TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS)
PF09379
(FERM_N)
PF16511
(FERM_f0) 		5 GLY A 287
ALA A 294
GLN A 244
PHE A 241
HIS A 283
 None
 1.30A 4wh5A-3ivfA:
undetectable		 4wh5A-3ivfA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3js6 UNCHARACTERIZED PARM
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ASP A 190
PHE A 281
PHE A 212
HIS A 304
 None
 1.42A 4wh5A-3js6A:
undetectable		 4wh5A-3js6A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyb SENSOR PROTEIN

(Pseudomonas
aeruginosa) 		PF07696
(7TMR-DISMED2) 		5 ASP A 115
ASP A 127
HIS A 129
ILE A  62
ALA A  63
 None
 1.27A 4wh5A-3jybA:
undetectable		 4wh5A-3jybA:
21.89
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		5 GLY A  27
ASP A 295
HIS A  22
PHE A  37
GLN A 117
 None
None
UNL  A 317 ( 3.8A)
None
None
 1.37A 4wh5A-3l12A:
undetectable		 4wh5A-3l12A:
17.20
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ASP A 404
PHE A 325
PHE A 441
ILE A 352
HIS A 374
 None
 1.16A 4wh5A-3lk7A:
undetectable		 4wh5A-3lk7A:
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 PHE A 410
PHE A  34
ILE A  33
GLN A 455
PHE A 437
 None
 1.40A 4wh5A-3lvvA:
undetectable		 4wh5A-3lvvA:
12.74
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.
3lws AROMATIC AMINO ACID
BETA-ELIMINATING
LYASE/THREONINE
ALDOLASE

(Exiguobacterium
sibiricum) 		PF01212
(Beta_elim_lyase) 		5 GLY A 175
ASP A 174
PHE A 221
ILE A 199
ALA A 216
 None
LLP  A 205 ( 2.9A)
None
None
None
 1.23A 4wh5A-3lwsA:
undetectable		 4wh5A-3lwsA:
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.
3me8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF02630
(SCO1-SenC) 		5 ASP A  76
ASP A  80
HIS A  39
PHE A 124
PHE A  72
 None
 1.31A 4wh5A-3me8A:
undetectable		 4wh5A-3me8A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		5 GLY A 238
ASP A 237
ILE A 256
ALA A 301
PHE A 235
 None
 1.34A 4wh5A-3ouhA:
undetectable		 4wh5A-3ouhA:
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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		5 ASP A  60
GLY A  61
PHE A  22
ILE A  64
ALA A  67
 F9F  A   1 ( 4.5A)
None
F9F  A   1 (-3.7A)
None
None
 1.32A 4wh5A-3pr2A:
undetectable		 4wh5A-3pr2A:
18.89
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY C 130
PHE C 492
PHE C 156
ILE C 132
ALA C 413
 None
 1.06A 4wh5A-3qgkC:
undetectable		 4wh5A-3qgkC:
15.08
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.
3s4u PHND, SUBUNIT OF
ALKYLPHOSPHONATE ABC
TRANSPORTER

(Escherichia
coli) 		PF12974
(Phosphonate-bd) 		5 GLY A 204
ASP A 205
PHE A 225
PHE A  81
PHE A 246
 None
 1.16A 4wh5A-3s4uA:
undetectable		 4wh5A-3s4uA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyj NETRIN-G1

(Homo sapiens) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 ASP B 237
PHE B 266
PHE B 267
ILE B 235
PHE B 233
 None
 1.37A 4wh5A-3zyjB:
undetectable		 4wh5A-3zyjB:
15.20
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 109
ASP A 465
HIS A 422
ALA A 148
GLN A 145
 None
None
CU  A 604 ( 3.1A)
None
None
 1.24A 4wh5A-4akoA:
undetectable		 4wh5A-4akoA:
14.87
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.
4dcc PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ASP A  12
GLY A  14
ASP A 175
PHE A 157
PHE A 173
 NA  A 302 ( 3.0A)
CL  A 301 ( 3.6A)
NA  A 302 ( 4.3A)
None
None
 1.38A 4wh5A-4dccA:
undetectable		 4wh5A-4dccA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 GLY A1132
ASP A1135
PHE A1158
ILE A1130
HIS A1250
 None
None
None
None
MN  A1501 (-3.3A)
 1.28A 4wh5A-4fbqA:
undetectable		 4wh5A-4fbqA:
16.39
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 5 GLY B 132
ASP B 135
PHE B 158
ILE B 130
HIS B 250
 None
None
None
None
MN  B 502 ( 3.5A)
 1.27A 4wh5A-4fcxB:
undetectable		 4wh5A-4fcxB:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		10 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
ALA A 136
GLN A 137
PHE A 140
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
EPE  A 201 (-3.7A)
None
 0.62A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		8 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
GLN A 137
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
 1.48A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		11 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
PHE A 119
ILE A 132
ALA A 136
GLN A 137
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
None
None
None
 0.37A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		6 GLY A  29
ASP A  48
HIS A  92
PHE A 119
PHE A 140
HIS A 141
 EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.4A)
None
EPE  A 201 (-3.7A)
None
 1.38A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fo1 LINCOSAMIDE
RESISTANCE PROTEIN

(Staphylococcus
haemolyticus) 		PF10706
(Aminoglyc_resit) 		5 GLY A  32
PHE A 119
ILE A 132
ALA A 136
GLN A 137
 None
 1.16A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
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.
4ged ASCORBATE PEROXIDASE

(Leishmania
major) 		PF00141
(peroxidase) 		5 GLY A  59
PHE A 284
ILE A  63
ALA A 191
PHE A 215
 None
HEM  A 401 ( 4.8A)
HEM  A 401 ( 4.1A)
HEM  A 401 (-3.3A)
None
 1.34A 4wh5A-4gedA:
undetectable		 4wh5A-4gedA:
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 358
ASP A 381
PHE A 377
ILE A 356
ALA A 366
 AMP  A 602 (-3.6A)
AMP  A 602 (-3.1A)
None
None
None
 1.03A 4wh5A-4gvlA:
undetectable		 4wh5A-4gvlA:
16.52
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 GLY A 358
ASP A 381
PHE A 377
ILE A 356
ALA A 366
 None
 1.04A 4wh5A-4gx0A:
undetectable		 4wh5A-4gx0A:
14.23
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ASP A   8
GLY A  10
ASP A 171
PHE A 153
PHE A 169
 NA  A 301 (-3.1A)
NA  A 301 (-4.4A)
NA  A 301 ( 4.4A)
None
None
 1.36A 4wh5A-4jb3A:
undetectable		 4wh5A-4jb3A:
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.
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5) 		5 GLY A 667
ASP A 668
ILE A 665
ALA A 664
HIS A 803
 GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ILE  A 665 ( 0.7A)
ALA  A 664 ( 0.0A)
HIS  A 803 ( 1.0A)
 1.28A 4wh5A-4mtpA:
undetectable		 4wh5A-4mtpA:
13.87
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.
4mzw GLUTATHIONE
S-TRANSFERASE

(Streptococcus
sanguinis) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 GLY A  82
ASP A  81
ILE A  79
GLN A  84
PHE A  19
 None
None
GDS  A 301 ( 3.8A)
GDS  A 301 (-4.0A)
GDS  A 301 (-3.6A)
 1.29A 4wh5A-4mzwA:
undetectable		 4wh5A-4mzwA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 GLY A  26
ASP A  44
PHE A  62
ILE A  42
ALA A  53
 None
NAI  A 301 (-2.9A)
None
None
None
 1.15A 4wh5A-4nbuA:
undetectable		 4wh5A-4nbuA:
21.49
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 579
PHE A 790
PHE A 776
ALA A 574
PHE A 573
 None
None
None
GLC  A1010 (-3.5A)
None
 1.22A 4wh5A-4okdA:
undetectable		 4wh5A-4okdA:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4omg GERANYLGERANYL
DIPHOSPHATE CYCLASE

(Streptomyces
melanosporofaciens) 		no annotation 5 ASP A 258
ASP A 259
PHE A 174
ILE A 218
PHE A 252
 None
 1.33A 4wh5A-4omgA:
undetectable		 4wh5A-4omgA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 ASP A  89
PHE A  98
ILE A  91
ALA A 121
PHE A 125
 None
 1.29A 4wh5A-4ou2A:
undetectable		 4wh5A-4ou2A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p48 ANTIBODY SCFV 180

(Gallus gallus) 		PF07686
(V-set) 		5 GLY A 235
ASP A 237
ILE A 239
ALA A 225
GLN A 163
 None
 1.18A 4wh5A-4p48A:
undetectable		 4wh5A-4p48A:
16.54
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.
4p48 ANTIBODY SCFV 180

(Gallus gallus) 		PF07686
(V-set) 		5 GLY A 236
ASP A 237
ILE A 239
ALA A 225
GLN A 163
 None
 1.41A 4wh5A-4p48A:
undetectable		 4wh5A-4p48A:
16.54
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 279
ASP A 282
PHE A 211
ILE A 277
ALA A 327
 None
 1.23A 4wh5A-4q05A:
undetectable		 4wh5A-4q05A:
18.68
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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		5 GLY A 218
ASP A 216
PHE A 290
PHE A 339
PHE A 245
 CL  A 423 ( 3.8A)
None
None
None
None
 1.18A 4wh5A-4qb7A:
undetectable		 4wh5A-4qb7A:
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 ASP A 402
GLY A 404
ASP A 366
PHE A 367
ILE A 483
 None
 1.14A 4wh5A-4rasA:
1.4		 4wh5A-4rasA:
11.89
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 GLY A 204
ASP A 245
PHE A 172
ILE A 159
HIS A 248
 None
ACT  A 403 (-2.7A)
None
None
None
 1.43A 4wh5A-4rl3A:
undetectable		 4wh5A-4rl3A:
21.32
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.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		5 ASP A 244
ASP A 282
PHE A 289
ILE A  16
ALA A 251
 None
 1.28A 4wh5A-4wl2A:
undetectable		 4wh5A-4wl2A:
19.73
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.
4ydh FORMIN-LIKE PROTEIN
1

(Homo sapiens) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ASP A 287
HIS A 286
PHE A 329
ALA A 258
PHE A 293
 None
 1.37A 4wh5A-4ydhA:
undetectable		 4wh5A-4ydhA:
15.24
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 483
ASP A 486
ILE A 458
ALA A 459
GLN A 505
 None
 1.40A 4wh5A-5a7mA:
undetectable		 4wh5A-5a7mA:
12.59
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.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A  52
ASP A  55
HIS A 103
PHE A 147
ALA A  48
 SO4  A 702 ( 3.8A)
SO4  A 707 (-4.7A)
SO4  A 707 (-4.1A)
None
None
 1.23A 4wh5A-5e7qA:
undetectable		 4wh5A-5e7qA:
14.87
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 5 ASP Y 396
ASP Y 393
ALA Y 399
GLN Y 367
HIS Y 421
 None
 1.36A 4wh5A-5gaiY:
undetectable		 4wh5A-5gaiY:
13.48
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.
5ht7 UNCHARACTERIZED
PROTEIN

(Methanothrix
thermoacetophila) 		PF00030
(Crystall) 		5 ASP A  27
ASP A  21
ILE A  17
ALA A   2
HIS A  14
 None
None
None
None
FE2  A 101 (-3.4A)
 1.38A 4wh5A-5ht7A:
undetectable		 4wh5A-5ht7A:
19.25
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 GLY A 616
ASP A 615
ILE A 613
ALA A 668
HIS A 673
 None
 1.41A 4wh5A-5im3A:
undetectable		 4wh5A-5im3A:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k9h 0940_GH29

(unidentified) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 GLY A 395
ASP A 394
PHE A 417
PHE A 357
ILE A 405
 None
 1.38A 4wh5A-5k9hA:
undetectable		 4wh5A-5k9hA:
14.11
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 ASP B 685
ASP B 684
PHE B 772
PHE B 477
HIS B 476
 None
 1.39A 4wh5A-5khnB:
undetectable		 4wh5A-5khnB:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqc VP1

(Black queen
cell virus) 		PF08762
(CRPV_capsid) 		5 GLY A 265
ASP A 254
PHE A  99
ALA A  82
PHE A 268
 None
 1.32A 4wh5A-5mqcA:
undetectable		 4wh5A-5mqcA:
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.
5v91 FOSFOMYCIN
RESISTANCE PROTEIN

(Klebsiella
pneumoniae) 		PF00903
(Glyoxalase) 		5 ASP A 106
ASP A 108
HIS A 110
PHE A  70
PHE A 104
 None
 1.41A 4wh5A-5v91A:
3.3		 4wh5A-5v91A:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vwm UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		5 ASP A 241
HIS A 237
PHE A 181
ILE A 243
ALA A  84
 ZN  A 402 ( 2.1A)
ZN  A 402 ( 3.3A)
None
None
None
 1.37A 4wh5A-5vwmA:
undetectable		 4wh5A-5vwmA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 GLY A 366
HIS A 251
ALA A 185
PHE A 180
HIS A 182
 None
 1.34A 4wh5A-5xfaA:
undetectable		 4wh5A-5xfaA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		5 PHE C 202
PHE C 213
ILE C 208
ALA C 335
PHE C 225
 None
 0.84A 4wh5A-5y10C:
undetectable		 4wh5A-5y10C:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 GLY A 231
ASP A 234
PHE A  55
PHE A  57
ALA A  22
 INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
None
None
None
 1.41A 4wh5A-5ysqA:
undetectable		 4wh5A-5ysqA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d7t TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Homo sapiens) 		no annotation 5 GLY A 422
HIS A 426
PHE A 468
PHE A 329
GLN A 596
 None
FZ4  A 801 ( 2.5A)
None
None
None
 1.41A 4wh5A-6d7tA:
undetectable		 4wh5A-6d7tA:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 5 GLY A 268
ASP A 339
ILE A 270
ALA A 375
HIS A 223
 None
 1.28A 4wh5A-6fi2A:
undetectable		 4wh5A-6fi2A:
16.05