SIMILAR PATTERNS OF AMINO ACIDS FOR 2WEK_B_DIFB1373

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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ASN A 379
SER A 442
VAL A 391
TYR A 444
 None
None
None
NAG  A 900 ( 3.1A)
 1.14A 2wekB-1ac5A:
undetectable		 2wekB-1ac5A:
20.37
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ASN A 251
VAL A 265
TYR A 312
ASN A 565
 None
 1.19A 2wekB-1aorA:
undetectable		 2wekB-1aorA:
21.75
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.
1g2r HYPOTHETICAL
CYTOSOLIC PROTEIN

(Streptococcus
pneumoniae) 		PF04296
(DUF448) 		4 PHE A  69
MET A  71
VAL A  73
PHE A  35
 None
 1.25A 2wekB-1g2rA:
undetectable		 2wekB-1g2rA:
14.83
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.
1iip CYCLOPHILIN 40

(Bos taurus) 		PF00160
(Pro_isomerase)
PF13176
(TPR_7) 		4 PHE A 149
VAL A  41
PHE A 103
ASN A 128
 None
 1.23A 2wekB-1iipA:
undetectable		 2wekB-1iipA:
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.
1j26 IMMATURE COLON
CARCINOMA TRANSCRIPT
1

(Mus musculus) 		PF00472
(RF-1) 		4 SER A  14
VAL A  60
TYR A  16
PHE A  48
 None
 1.11A 2wekB-1j26A:
undetectable		 2wekB-1j26A:
15.73
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.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASN A 109
TYR A 148
PHE A  34
ASN A  33
 None
 0.96A 2wekB-1jswA:
undetectable		 2wekB-1jswA:
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ASN B 239
VAL B 242
TYR B 290
ASN B 260
 None
 1.08A 2wekB-1m2vB:
2.1		 2wekB-1m2vB:
17.76
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 261
VAL A 268
TYR A 260
PHE A 325
 None
 1.14A 2wekB-1m7sA:
undetectable		 2wekB-1m7sA:
22.47
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 SER A 430
PHE A 384
VAL A 404
TYR A 392
 None
 1.26A 2wekB-1mwoA:
undetectable		 2wekB-1mwoA:
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.
1olp ALPHA-TOXIN

(Clostridium
sardiniense) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ASN A 186
SER A 189
TYR A 235
ASN A  93
 None
 1.18A 2wekB-1olpA:
undetectable		 2wekB-1olpA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ASN A 239
VAL A 242
TYR A 290
ASN A 260
 None
 1.10A 2wekB-1pd1A:
2.1		 2wekB-1pd1A:
18.80
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		4 ASN A  48
SER A  47
VAL A 188
TYR A 385
 EDO  A2780 (-3.7A)
None
None
None
 1.20A 2wekB-1qguA:
undetectable		 2wekB-1qguA:
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.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		4 MET A  60
VAL A  66
PHE A 121
ASN A  80
 NDP  A1501 (-4.8A)
None
None
None
 1.01A 2wekB-1rpnA:
6.3		 2wekB-1rpnA:
20.83
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASN A 239
VAL A 164
TYR A 245
ASN A 316
 None
 1.23A 2wekB-1up4A:
3.3		 2wekB-1up4A:
25.50
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 ASN A 212
SER A 213
MET A 296
VAL A 303
 None
 1.24A 2wekB-1xi8A:
undetectable		 2wekB-1xi8A:
24.31
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.
1y6z HEAT SHOCK PROTEIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00183
(HSP90) 		4 ASN A  46
SER A  47
PHE A  45
PHE A  84
 None
 1.03A 2wekB-1y6zA:
undetectable		 2wekB-1y6zA:
23.10
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.
1yq1 GLUTATHIONE
S-TRANSFERASE

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ASN A 191
SER A 192
VAL A 163
PHE A 149
 None
 0.97A 2wekB-1yq1A:
undetectable		 2wekB-1yq1A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A 397
TYR A 438
PHE A 350
ASN A 376
 None
 1.13A 2wekB-1zkcA:
undetectable		 2wekB-1zkcA:
17.97
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.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 PHE A 179
TYR A 169
PHE A 256
ASN A 190
 None
 1.23A 2wekB-2d39A:
undetectable		 2wekB-2d39A:
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 SER A 126
VAL A  76
TYR A 128
ASN A 442
 None
 1.24A 2wekB-2hgsA:
undetectable		 2wekB-2hgsA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		4 ASN A  14
PHE A 171
TYR A 112
PHE A  10
 89I  A 500 (-4.0A)
None
None
None
 1.21A 2wekB-2i6bA:
5.4		 2wekB-2i6bA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ime 2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE

(Pseudomonas
putida) 		PF01323
(DSBA) 		4 ASN A  18
SER A  14
VAL A 106
ASN A  35
 None
 1.07A 2wekB-2imeA:
undetectable		 2wekB-2imeA:
20.58
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.
2j4l URIDYLATE KINASE

(Sulfolobus
solfataricus) 		PF00696
(AA_kinase) 		4 ASN A 208
SER A  26
PHE A  11
ASN A  19
 None
 1.14A 2wekB-2j4lA:
3.1		 2wekB-2j4lA:
22.51
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 533
VAL A 538
TYR A 560
PHE A 127
 None
 1.17A 2wekB-2nyaA:
2.5		 2wekB-2nyaA:
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.
2pjs UNCHARACTERIZED
PROTEIN ATU1953

(Agrobacterium
fabrum) 		PF00903
(Glyoxalase) 		4 SER A  58
VAL A  97
PHE A 101
ASN A 111
 None
 1.24A 2wekB-2pjsA:
undetectable		 2wekB-2pjsA:
15.67
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 PHE A 431
MET A 428
TYR A 407
ASN A 452
 None
 1.07A 2wekB-2vl8A:
undetectable		 2wekB-2vl8A:
19.14
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.
2vla RESTRICTION
ENDONUCLEASE R.BPUJI

(Bacillus
pumilus) 		PF11564
(BpuJI_N) 		4 ASN A 166
SER A 167
MET A 207
VAL A 196
 None
 1.23A 2wekB-2vlaA:
undetectable		 2wekB-2vlaA:
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.
2vq8 RNASE ZF-1A

(Danio rerio) 		PF00074
(RnaseA) 		4 ASN A  27
SER A  28
PHE A  52
ASN A  50
 None
 1.22A 2wekB-2vq8A:
undetectable		 2wekB-2vq8A:
17.84
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 PHE A 450
TYR A 412
PHE A 458
ASN A 469
 None
 0.98A 2wekB-2vqrA:
undetectable		 2wekB-2vqrA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 PHE A 450
TYR A 412
PHE A 458
ASN A 469
 None
 0.94A 2wekB-2w8sA:
undetectable		 2wekB-2w8sA:
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.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		4 SER A 455
PHE A 399
TYR A 454
PHE A  49
 TRP  A1512 ( 4.2A)
None
None
TRP  A1512 (-3.5A)
 1.13A 2wekB-2weuA:
undetectable		 2wekB-2weuA:
20.97
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 PHE F 150
TYR F 140
PHE F 227
ASN F 161
 None
 1.24A 2wekB-2wnpF:
undetectable		 2wekB-2wnpF:
22.97
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.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		4 SER A 225
PHE A 193
VAL A 197
TYR A  87
 None
 1.26A 2wekB-2x5dA:
2.9		 2wekB-2x5dA:
23.01
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.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Methanosarcina
mazei) 		PF00875
(DNA_photolyase) 		4 SER A 268
PHE A 230
VAL A 240
ASN A 262
 FAD  A1463 (-3.3A)
None
None
None
 1.11A 2wekB-2xryA:
2.3		 2wekB-2xryA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynp COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 ASN A 421
SER A 406
TYR A 418
ASN A 367
 None
 1.21A 2wekB-2ynpA:
undetectable		 2wekB-2ynpA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Measles
morbillivirus;
Saguinus
oedipus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 ASN A 286
SER A 285
VAL A 220
PHE A 255
 None
 1.05A 2wekB-3alxA:
undetectable		 2wekB-3alxA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2z UNCHARACTERIZED
PROTEIN BF3579

(Bacteroides
fragilis) 		PF00754
(F5_F8_type_C) 		4 ASN A 369
SER A 368
VAL A 426
PHE A 330
 None
 0.72A 2wekB-3f2zA:
undetectable		 2wekB-3f2zA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqp HEMOGLOBIN SUBUNIT
ALPHA

(Felis catus) 		PF00042
(Globin) 		4 PHE A 129
VAL A  10
TYR A  24
PHE A 117
 None
 1.20A 2wekB-3gqpA:
undetectable		 2wekB-3gqpA:
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		4 ASN A 184
SER A 185
VAL A 177
ASN A  72
 None
 1.10A 2wekB-3humA:
undetectable		 2wekB-3humA:
21.65
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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 SER A 200
VAL A 301
TYR A 204
PHE A 344
 None
 0.94A 2wekB-3hwkA:
undetectable		 2wekB-3hwkA:
22.83
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 4 SER A 359
VAL A 303
PHE A 161
ASN A 352
 None
 1.21A 2wekB-3ihmA:
undetectable		 2wekB-3ihmA:
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.
3ite SIDN SIDEROPHORE
SYNTHETASE

(Epichloe
festucae) 		PF00501
(AMP-binding) 		4 SER A 360
MET A 400
VAL A 373
ASN A 396
 None
 1.26A 2wekB-3iteA:
3.2		 2wekB-3iteA:
20.78
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.
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF08005
(PHR) 		4 SER A 476
VAL A 380
TYR A 386
PHE A 449
 None
 1.14A 2wekB-3no8A:
undetectable		 2wekB-3no8A:
22.67
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.
3oce FUMARATE LYASE:DELTA
CRYSTALLIN

(Brucella
abortus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASN A 105
SER A 102
TYR A 144
PHE A  31
 None
 1.25A 2wekB-3oceA:
undetectable		 2wekB-3oceA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ois CYSTEINE PROTEASE

(Xylella
fastidiosa) 		PF00112
(Peptidase_C1) 		4 SER A 219
VAL A 210
PHE A 267
ASN A 255
 None
 1.21A 2wekB-3oisA:
undetectable		 2wekB-3oisA:
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.
3s4u PHND, SUBUNIT OF
ALKYLPHOSPHONATE ABC
TRANSPORTER

(Escherichia
coli) 		PF12974
(Phosphonate-bd) 		4 SER A  95
VAL A 138
TYR A  93
ASN A 122
 None
 1.15A 2wekB-3s4uA:
undetectable		 2wekB-3s4uA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		4 ASN A 254
SER A 255
VAL A 389
ASN A 319
 None
 1.25A 2wekB-3t2nA:
undetectable		 2wekB-3t2nA:
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.
3tb5 METHIONINE
AMINOPEPTIDASE

(Enterococcus
faecalis) 		PF00557
(Peptidase_M24) 		4 SER A 109
VAL A 112
TYR A 231
ASN A  72
 None
 1.19A 2wekB-3tb5A:
undetectable		 2wekB-3tb5A:
21.45
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 VAL A 348
TYR A 166
PHE A 261
ASN A 351
 None
PHE  A 400 (-3.8A)
EDO  A 403 (-4.4A)
EDO  A 403 (-4.0A)
 1.22A 2wekB-3td9A:
6.8		 2wekB-3td9A:
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		4 ASN A 323
SER A 324
MET A 103
ASN A  25
 FMT  A 501 (-4.0A)
None
None
ACT  A 504 (-3.9A)
 1.25A 2wekB-3vdgA:
undetectable		 2wekB-3vdgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wo4 INTERLEUKIN-18
RECEPTOR 1

(Homo sapiens) 		no annotation 4 ASN B 165
SER B 153
TYR B 155
ASN B 150
 None
None
None
NAG  B 903 (-1.9A)
 1.09A 2wekB-3wo4B:
undetectable		 2wekB-3wo4B:
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  94
VAL A 117
PHE A 555
ASN A 586
 None
 1.13A 2wekB-4aipA:
undetectable		 2wekB-4aipA:
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 446
PHE A 350
VAL A 503
ASN A 353
 None
CL  A1636 (-4.5A)
None
CL  A1636 (-4.4A)
 1.18A 2wekB-4cw4A:
undetectable		 2wekB-4cw4A:
20.56
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.
4cyz HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A 212
SER A 211
VAL A 214
TYR A 209
 None
 1.02A 2wekB-4cyzA:
undetectable		 2wekB-4cyzA:
21.99
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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		4 SER A 311
VAL A 323
TYR A 182
ASN A 289
 None
 0.99A 2wekB-4d2iA:
undetectable		 2wekB-4d2iA:
21.92
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.
4ejr MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		4 ASN A  99
VAL A  93
TYR A  74
PHE A  78
 None
 1.18A 2wekB-4ejrA:
undetectable		 2wekB-4ejrA:
20.73
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 VAL A 150
TYR A 337
PHE A 276
ASN A 219
 None
PEG  A 504 ( 3.9A)
None
None
 0.99A 2wekB-4gl3A:
undetectable		 2wekB-4gl3A:
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.
4gpn 6-PHOSPHO-BETA-D-GLU
COSIDASE

(Streptococcus
mutans) 		PF00232
(Glyco_hydro_1) 		4 PHE A 266
VAL A 238
TYR A 330
ASN A 192
 None
 1.10A 2wekB-4gpnA:
undetectable		 2wekB-4gpnA:
20.04
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 MET A 110
VAL A 112
TYR A 123
ASN A 100
 None
 1.25A 2wekB-4hdsA:
undetectable		 2wekB-4hdsA:
24.87
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.
4hu0 CELLULASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ASN A  77
SER A  79
PHE A  95
ASN A 134
 None
 1.23A 2wekB-4hu0A:
undetectable		 2wekB-4hu0A:
20.66
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Homo sapiens;
Legionella
drancourtii) 		PF00071
(Ras)
no annotation 		4 SER B  78
VAL B  46
TYR B 112
ASN A 479
 None
 1.16A 2wekB-4jvsB:
undetectable		 2wekB-4jvsB:
18.10
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.
4l87 SERINE--TRNA LIGASE,
CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 ASN A 397
SER A 396
PHE A 341
ASN A 363
 None
 1.25A 2wekB-4l87A:
undetectable		 2wekB-4l87A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 MET A 309
VAL A 121
TYR A 144
PHE A 274
 None
 0.93A 2wekB-4mkvA:
undetectable		 2wekB-4mkvA:
22.93
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 SER A 170
PHE A  77
TYR A 173
ASN A  93
 173  A 401 (-2.6A)
None
173  A 401 (-4.4A)
None
 1.04A 2wekB-4mniA:
undetectable		 2wekB-4mniA:
23.06
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.
4qxr STIMULATOR OF
INTERFERON GENES
PROTEIN

(Homo sapiens) 		PF15009
(TMEM173) 		4 ASN A 242
SER A 241
VAL A 258
PHE A 221
 None
 1.26A 2wekB-4qxrA:
undetectable		 2wekB-4qxrA:
20.87
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 ASN A 105
SER A 104
PHE A 140
VAL A 136
ASN A 133
 None
 1.37A 2wekB-4rkuA:
undetectable		 2wekB-4rkuA:
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 ASN A2123
TYR A2128
PHE A1976
ASN A2045
 None
 1.21A 2wekB-4tvcA:
1.6		 2wekB-4tvcA:
16.40
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ASN A 380
SER A 379
TYR A 285
ASN A 343
 FAD  A1002 (-4.1A)
FAD  A1002 (-3.6A)
None
FAD  A1002 (-3.5A)
 1.20A 2wekB-4u63A:
undetectable		 2wekB-4u63A:
22.15
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 ASN A  49
SER A  48
VAL A 189
TYR A 387
 None
 1.20A 2wekB-4wzbA:
2.8		 2wekB-4wzbA:
22.47
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.
4xkb YCF53-LIKE PROTEIN

(Synechocystis
sp. PCC 6803) 		PF05419
(GUN4)
PF16416
(GUN4_N) 		4 ASN A 147
PHE A 160
TYR A  93
PHE A 138
 None
 0.96A 2wekB-4xkbA:
undetectable		 2wekB-4xkbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 ASN A 502
SER A 504
PHE A 501
ASN A 495
 None
 1.16A 2wekB-4xriA:
undetectable		 2wekB-4xriA:
17.29
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00632
(HECT) 		4 SER A 528
PHE A 607
VAL A 571
PHE A 564
 None
 1.27A 2wekB-4y07A:
undetectable		 2wekB-4y07A:
19.95
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.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		4 ASN A 153
PHE A 154
VAL A 167
PHE A 211
 None
 1.07A 2wekB-4yn5A:
undetectable		 2wekB-4yn5A:
22.30
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.
5a8v POLYHEDRIN

(Cypovirus 5) 		no annotation 4 ASN A  47
PHE A 223
TYR A 245
ASN A  70
 None
 1.13A 2wekB-5a8vA:
undetectable		 2wekB-5a8vA:
21.08
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 SER A  21
PHE A 431
VAL A 440
TYR A  18
 None
 0.97A 2wekB-5brqA:
undetectable		 2wekB-5brqA:
19.76
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.
5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Cryptococcus
neoformans) 		PF02358
(Trehalose_PPase) 		4 SER A 136
VAL A 186
PHE A  90
ASN A 101
 None
 0.98A 2wekB-5dx9A:
4.0		 2wekB-5dx9A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5faf GELSOLIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 ASN A 206
SER A 205
VAL A 171
PHE A 189
 CA  A 301 ( 4.8A)
None
None
None
 1.13A 2wekB-5fafA:
undetectable		 2wekB-5fafA:
17.30
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.
5fc9 BLUE (TYPE 1) COPPER
DOMAIN PROTEIN

(Nitrosopumilus
maritimus) 		PF00127
(Copper-bind) 		4 ASN A1059
SER A1060
VAL A1054
PHE A1085
 None
 0.62A 2wekB-5fc9A:
undetectable		 2wekB-5fc9A:
14.92
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 ASN A 576
PHE A 572
TYR A 538
ASN A 524
 None
 1.26A 2wekB-5gwjA:
undetectable		 2wekB-5gwjA:
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.
5h29 THIOREDOXIN
REDUCTASE/GLUTATHION
E-RELATED PROTEIN

(Enterococcus
faecalis) 		no annotation 4 ASN A 453
SER A 454
MET A 359
PHE A 393
 None
 1.21A 2wekB-5h29A:
undetectable		 2wekB-5h29A:
12.09
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 ASN A 365
VAL A 369
TYR A 329
ASN A 265
 None
 1.25A 2wekB-5hrmA:
undetectable		 2wekB-5hrmA:
24.35
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		4 ASN A  92
SER A 513
PHE A 101
ASN A 100
 None
 1.13A 2wekB-5jwbA:
2.5		 2wekB-5jwbA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 SER A 140
PHE A 142
VAL A 261
ASN A 213
 None
 1.03A 2wekB-5kcaA:
3.6		 2wekB-5kcaA:
17.90
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		4 SER A 460
PHE A 404
TYR A 459
PHE A  49
 None
 1.08A 2wekB-5lv9A:
undetectable		 2wekB-5lv9A:
21.55
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ASN A 333
SER A 331
VAL A 361
PHE A 348
 None
 1.22A 2wekB-5m6gA:
3.1		 2wekB-5m6gA:
21.50
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.
5mp2 TYPE II SECRETION
SYSTEM PROTEIN D

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  70
PHE A  77
VAL A  79
PHE A  65
 None
 1.26A 2wekB-5mp2A:
undetectable		 2wekB-5mp2A:
13.69
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 ASN A 203
SER A 204
TYR A 523
PHE A 400
 None
 1.24A 2wekB-5nd1A:
undetectable		 2wekB-5nd1A:
12.09
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 PHE A 276
VAL A 250
PHE A 219
ASN A 215
 None
 1.13A 2wekB-5oe5A:
3.4		 2wekB-5oe5A:
22.99
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.
5oes GLUTATHIONE
SYNTHETASE

(Solanum
tuberosum) 		no annotation 4 SER A 138
VAL A  88
TYR A 140
ASN A 451
 None
 1.24A 2wekB-5oesA:
undetectable		 2wekB-5oesA:
17.00
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.
5olt -

(-) 		no annotation 4 ASN A 399
VAL A 364
TYR A 410
ASN A 391
 None
 1.19A 2wekB-5oltA:
undetectable		 2wekB-5oltA:
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.
5oo7 SLA2

(Chaetomium
thermophilum) 		no annotation 4 ASN A 188
PHE A 182
TYR A 252
PHE A  69
 None
 1.25A 2wekB-5oo7A:
undetectable		 2wekB-5oo7A:
11.44
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 ASN A 355
SER A 491
VAL A 358
PHE A 413
 None
 1.27A 2wekB-5tr0A:
undetectable		 2wekB-5tr0A:
19.29
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 4 ASN A 184
SER A 185
VAL A 177
ASN A  72
 None
 1.02A 2wekB-5ty7A:
undetectable		 2wekB-5ty7A:
14.29
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 4 SER A 105
VAL A  83
TYR A 202
ASN A  77
 None
 1.20A 2wekB-5xnzA:
undetectable		 2wekB-5xnzA:
14.08
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.
5ybp PRHA

(Penicillium
brasilianum) 		no annotation 4 SER A 260
VAL A 248
PHE A  83
ASN A 115
 None
 1.19A 2wekB-5ybpA:
undetectable		 2wekB-5ybpA:
12.95
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.
5zib -

(-) 		no annotation 4 VAL A 703
TYR A 391
PHE A 711
ASN A 669
 None
 1.25A 2wekB-5zibA:
3.7		 2wekB-5zibA:
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.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 4 ASN A 404
SER A 403
PHE A 345
ASN A 367
 None
None
EDO  A 501 ( 4.8A)
None
 1.24A 2wekB-6bljA:
undetectable		 2wekB-6bljA:
12.94
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.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG

(Homo sapiens) 		no annotation 4 ASN A 700
SER A 699
VAL A 702
PHE A 767
 None
SO4  A1102 (-2.6A)
None
919  A1101 (-3.8A)
 1.15A 2wekB-6cnhA:
undetectable		 2wekB-6cnhA:
13.49
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.
6ey4 GLDM

(Flavobacterium
johnsoniae) 		no annotation 4 PHE A 172
VAL A 174
TYR A  92
PHE A 192
 None
 1.01A 2wekB-6ey4A:
undetectable		 2wekB-6ey4A:
12.62