SIMILAR PATTERNS OF AMINO ACIDS FOR 2WEK_A_DIFA1373

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 2wekA-1ac5A:
2.9
2wekA-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
1.20A 2wekA-1aorA:
undetectable
2wekA-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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)


(Thermotoga
maritima)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
4 SER A 123
MET A  45
VAL A  43
TYR A 155
None
1.15A 2wekA-1b3bA:
undetectable
2wekA-1b3bA:
24.54
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.
1g2r HYPOTHETICAL
CYTOSOLIC PROTEIN


(Streptococcus
pneumoniae)
PF04296
(DUF448)
4 PHE A  69
MET A  71
VAL A  73
PHE A  35
None
1.19A 2wekA-1g2rA:
undetectable
2wekA-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 2wekA-1iipA:
undetectable
2wekA-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.
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
0.97A 2wekA-1jswA:
undetectable
2wekA-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
1.11A 2wekA-1m2vB:
undetectable
2wekA-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
1.18A 2wekA-1m7sA:
undetectable
2wekA-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
1.25A 2wekA-1mwoA:
undetectable
2wekA-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
1.16A 2wekA-1olpA:
undetectable
2wekA-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
1.13A 2wekA-1pd1A:
2.2
2wekA-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 2wekA-1qguA:
2.2
2wekA-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.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae)
PF01965
(DJ-1_PfpI)
4 PHE A  65
VAL A  29
TYR A  18
ASN A 220
None
1.25A 2wekA-1qvzA:
3.4
2wekA-1qvzA:
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.
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
1.04A 2wekA-1rpnA:
6.2
2wekA-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
1.25A 2wekA-1up4A:
3.2
2wekA-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
1.23A 2wekA-1xi8A:
undetectable
2wekA-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 2wekA-1y6zA:
undetectable
2wekA-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
0.98A 2wekA-1yq1A:
undetectable
2wekA-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
1.16A 2wekA-1zkcA:
undetectable
2wekA-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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ASN A 147
SER A 148
PHE A  61
ASN A  38
None
1.05A 2wekA-2bc0A:
3.6
2wekA-2bc0A:
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.
2d39 FICOLIN-1

(Homo sapiens)
PF00147
(Fibrinogen_C)
4 PHE A 179
TYR A 169
PHE A 256
ASN A 190
None
1.23A 2wekA-2d39A:
undetectable
2wekA-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
1.27A 2wekA-2hgsA:
undetectable
2wekA-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
1.17A 2wekA-2i6bA:
4.4
2wekA-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
PHE A   5
VAL A 106
None
1.15A 2wekA-2imeA:
undetectable
2wekA-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.
2ime 2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE


(Pseudomonas
putida)
PF01323
(DSBA)
4 ASN A  18
SER A  14
VAL A 106
ASN A  35
None
1.09A 2wekA-2imeA:
undetectable
2wekA-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.
2n8k U33-THERAPHOTOXIN-CG
1B


(Chilobrachys
guangxiensis)
no annotation 4 ASN A  18
SER A  19
VAL A  16
ASN A  44
None
1.13A 2wekA-2n8kA:
undetectable
2wekA-2n8kA:
11.01
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.
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
1.15A 2wekA-2nyaA:
2.5
2wekA-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 2wekA-2pjsA:
undetectable
2wekA-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.
2pvp D-ALANINE-D-ALANINE
LIGASE


(Helicobacter
pylori)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 ASN A 310
PHE A 316
VAL A  27
PHE A   3
None
1.26A 2wekA-2pvpA:
undetectable
2wekA-2pvpA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2wekA-2vl8A:
undetectable
2wekA-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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum)
PF00884
(Sulfatase)
PF16347
(DUF4976)
4 PHE A 450
TYR A 412
PHE A 458
ASN A 469
None
1.01A 2wekA-2vqrA:
undetectable
2wekA-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
0.97A 2wekA-2w8sA:
undetectable
2wekA-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)
1.15A 2wekA-2weuA:
undetectable
2wekA-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
1.25A 2wekA-2wnpF:
undetectable
2wekA-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.
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
1.13A 2wekA-2xryA:
2.2
2wekA-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
1.18A 2wekA-2ynpA:
undetectable
2wekA-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
1.07A 2wekA-3alxA:
undetectable
2wekA-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.
3ci0 PSEUDOPILIN GSPI
PSEUDOPILIN GSPK


(Escherichia
coli)
PF02501
(T2SSI)
PF03934
(T2SSK)
4 SER K  49
VAL K  87
TYR I  52
ASN I  85
None
1.12A 2wekA-3ci0K:
undetectable
2wekA-3ci0K:
24.04
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.
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
0.66A 2wekA-3f2zA:
undetectable
2wekA-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
1.18A 2wekA-3gqpA:
undetectable
2wekA-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.
3h51 PUTATIVE
CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE II
ASSOCIATION DOMAIN


(Xanthomonas
campestris)
PF08332
(CaMKII_AD)
4 PHE A  91
VAL A  59
PHE A  44
ASN A  48
UNL  A 175 ( 4.0A)
None
None
None
1.08A 2wekA-3h51A:
undetectable
2wekA-3h51A:
18.18
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.
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
1.16A 2wekA-3humA:
undetectable
2wekA-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
0.95A 2wekA-3hwkA:
undetectable
2wekA-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.
3ied HEAT SHOCK PROTEIN

(Plasmodium
falciparum)
PF00183
(HSP90)
PF13589
(HATPase_c_3)
4 SER A 255
MET A 112
VAL A 116
PHE A 248
None
1.26A 2wekA-3iedA:
undetectable
2wekA-3iedA:
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.
3ihm STYRENE
MONOOXYGENASE A


(Pseudomonas
putida)
no annotation 4 SER A 359
VAL A 303
PHE A 161
ASN A 352
None
1.23A 2wekA-3ihmA:
undetectable
2wekA-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
1.21A 2wekA-3iteA:
3.1
2wekA-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
1.15A 2wekA-3no8A:
undetectable
2wekA-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
1.24A 2wekA-3oceA:
undetectable
2wekA-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.
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
1.10A 2wekA-3s4uA:
undetectable
2wekA-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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL


(Homo sapiens)
PF00701
(DHDPS)
4 SER A 198
PHE A 226
TYR A 168
ASN A 276
None
1.18A 2wekA-3s5nA:
2.8
2wekA-3s5nA:
24.52
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.
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
1.22A 2wekA-3t2nA:
undetectable
2wekA-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.
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)
1.27A 2wekA-3td9A:
6.9
2wekA-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 2wekA-3vdgA:
undetectable
2wekA-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)
1.05A 2wekA-3wo4B:
undetectable
2wekA-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
1.10A 2wekA-4aipA:
undetectable
2wekA-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 2wekA-4cw4A:
undetectable
2wekA-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
0.99A 2wekA-4cyzA:
undetectable
2wekA-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
1.03A 2wekA-4d2iA:
2.9
2wekA-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.
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
0.98A 2wekA-4gl3A:
undetectable
2wekA-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
1.06A 2wekA-4gpnA:
undetectable
2wekA-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.
4h0n DNMT2

(Spodoptera
frugiperda)
PF00145
(DNA_methylase)
4 SER A 125
PHE A 122
PHE A  81
ASN A  96
None
1.23A 2wekA-4h0nA:
5.0
2wekA-4h0nA:
19.78
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.
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
1.14A 2wekA-4jvsB:
undetectable
2wekA-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
1.19A 2wekA-4l87A:
undetectable
2wekA-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
0.97A 2wekA-4mkvA:
undetectable
2wekA-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
1.06A 2wekA-4mniA:
undetectable
2wekA-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.
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 2wekA-4rkuA:
undetectable
2wekA-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
1.19A 2wekA-4tvcA:
2.2
2wekA-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)
1.17A 2wekA-4u63A:
undetectable
2wekA-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 2wekA-4wzbA:
2.8
2wekA-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
0.97A 2wekA-4xkbA:
undetectable
2wekA-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
1.17A 2wekA-4xriA:
undetectable
2wekA-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
1.24A 2wekA-4y07A:
undetectable
2wekA-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.
5a8v POLYHEDRIN

(Cypovirus 5)
no annotation 4 ASN A  47
PHE A 223
TYR A 245
ASN A  70
None
1.14A 2wekA-5a8vA:
undetectable
2wekA-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
0.94A 2wekA-5brqA:
undetectable
2wekA-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 2wekA-5dx9A:
3.9
2wekA-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.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL


(Homo sapiens)
PF00579
(tRNA-synt_1b)
4 ASN A 274
MET A 227
VAL A 217
TYR A 302
None
None
ATP  A 402 (-3.3A)
None
1.27A 2wekA-5ekdA:
undetectable
2wekA-5ekdA:
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.
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
1.11A 2wekA-5fafA:
undetectable
2wekA-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
0.59A 2wekA-5fc9A:
undetectable
2wekA-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.
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
1.25A 2wekA-5h29A:
undetectable
2wekA-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.
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
1.11A 2wekA-5jwbA:
2.1
2wekA-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
1.01A 2wekA-5kcaA:
3.5
2wekA-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
1.10A 2wekA-5lv9A:
undetectable
2wekA-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
1.23A 2wekA-5m6gA:
3.2
2wekA-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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 ASN A 203
SER A 204
TYR A 523
PHE A 400
None
1.27A 2wekA-5nd1A:
undetectable
2wekA-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
1.18A 2wekA-5oe5A:
3.1
2wekA-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
1.26A 2wekA-5oesA:
undetectable
2wekA-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
1.20A 2wekA-5oltA:
undetectable
2wekA-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
1.27A 2wekA-5oo7A:
undetectable
2wekA-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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2


(Homo sapiens)
PF00397
(WW)
PF00632
(HECT)
4 SER A 528
PHE A 607
VAL A 571
PHE A 564
None
1.23A 2wekA-5tj7A:
undetectable
2wekA-5tj7A:
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4


(Staphylococcus
aureus)
no annotation 4 ASN A 184
SER A 185
VAL A 177
ASN A  72
None
1.07A 2wekA-5ty7A:
undetectable
2wekA-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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY


(Mus musculus)
PF00397
(WW)
PF00632
(HECT)
4 SER A 522
PHE A 601
VAL A 565
PHE A 558
None
1.26A 2wekA-5xmcA:
undetectable
2wekA-5xmcA:
19.79
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.
5xnz CRED

(Streptomyces
cremeus)
no annotation 4 SER A 105
VAL A  83
TYR A 202
ASN A  77
None
1.19A 2wekA-5xnzA:
undetectable
2wekA-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 2wekA-5ybpA:
undetectable
2wekA-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
1.24A 2wekA-5zibA:
2.5
2wekA-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.
6al7 12-EPI-HAPALINDOLE
C/U SYNTHASE


(Fischerella sp.
ATCC 43239)
no annotation 4 SER A 138
PHE A 210
TYR A  89
ASN A 204
CA  A 301 (-4.3A)
None
None
None
1.27A 2wekA-6al7A:
undetectable
2wekA-6al7A:
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.
6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2


(Petunia x
hybrida)
no annotation 4 PHE A 158
MET A 147
VAL A 143
PHE A 125
TLF  A 300 (-4.6A)
TLF  A 300 ( 4.1A)
None
TLF  A 300 (-4.7A)
1.22A 2wekA-6ap6A:
3.3
2wekA-6ap6A:
12.65
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.
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
1.20A 2wekA-6bljA:
undetectable
2wekA-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)
1.14A 2wekA-6cnhA:
undetectable
2wekA-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
1.02A 2wekA-6ey4A:
undetectable
2wekA-6ey4A:
12.62