SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWR_A_ZMRA513_2

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.
1a40 PHOSPHATE-BINDING
PERIPLASMIC PROTEIN
PRECURSOR

(Escherichia
coli) 		PF12849
(PBP_like_2) 		4 LEU A 125
ASP A 113
TRP A 111
ILE A 103
 None
 1.03A 4mwrA-1a40A:
undetectable		 4mwrA-1a40A:
23.74
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.
1e5r PROLINE OXIDASE

(Streptomyces
sp. TH1) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		4 LEU A 281
ASP A 273
ARG A 272
ILE A 253
 None
 1.36A 4mwrA-1e5rA:
undetectable		 4mwrA-1e5rA:
20.10
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.
1fmm ACIDIC FIBROBLAST
GROWTH FACTOR

(Notophthalmus
viridescens) 		PF00167
(FGF) 		4 LEU S  65
ASP S  24
ARG S  16
ILE S  34
 None
 1.45A 4mwrA-1fmmS:
undetectable		 4mwrA-1fmmS:
13.14
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.
1jih DNA POLYMERASE ETA

(Saccharomyces
cerevisiae) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 LEU A  23
ASP A 235
TRP A 233
ILE A 212
 None
 1.19A 4mwrA-1jihA:
undetectable		 4mwrA-1jihA:
21.96
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.
1ku1 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 2

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		4 LEU A 636
ASP A 639
ARG A 643
ILE A 756
 None
 1.48A 4mwrA-1ku1A:
undetectable		 4mwrA-1ku1A:
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.
1lrv LEUCINE-RICH REPEAT
VARIANT

(Azotobacter
vinelandii) 		PF01816
(LRV)
PF05484
(LRV_FeS) 		4 LEU A  59
ASP A  61
ARG A  66
ILE A  44
 None
 1.50A 4mwrA-1lrvA:
undetectable		 4mwrA-1lrvA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU N 134
ASP N 151
ARG N 152
TRP N 178
ILE N 222
 None
 0.67A 4mwrA-1nmbN:
72.9		 4mwrA-1nmbN:
78.30
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.
1oy0 KETOPANTOATE
HYDROXYMETHYLTRANSFE
RASE

(Mycobacterium
tuberculosis) 		PF02548
(Pantoate_transf) 		4 LEU A 122
ASP A 124
ARG A 120
ILE A  79
 None
 1.20A 4mwrA-1oy0A:
undetectable		 4mwrA-1oy0A:
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 LEU A 515
ASP A 545
ARG A 254
ILE A 246
 None
 1.23A 4mwrA-1p22A:
6.3		 4mwrA-1p22A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LEU A 333
ASP A 375
ARG A 374
ILE A 408
 None
 1.25A 4mwrA-1qasA:
undetectable		 4mwrA-1qasA:
20.44
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 LEU A 313
ASP A 381
TRP A 315
ILE A 383
 None
 1.21A 4mwrA-1qvbA:
undetectable		 4mwrA-1qvbA:
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.
1re0 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 1

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		4 LEU B 179
ASP B 182
ARG B 186
ILE B 309
 None
 1.38A 4mwrA-1re0B:
undetectable		 4mwrA-1re0B:
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.
1uw0 DNA LIGASE III

(Homo sapiens) 		PF00645
(zf-PARP) 		4 LEU A  82
ASP A   9
ARG A  31
ILE A  25
 None
 1.40A 4mwrA-1uw0A:
undetectable		 4mwrA-1uw0A:
13.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 140
ASP A 157
ARG A 158
TRP A 185
ILE A 229
 None
 0.24A 4mwrA-1v0zA:
73.0		 4mwrA-1v0zA:
68.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 LEU A 132
ASP A 149
ARG A 150
TRP A 177
ILE A 221
 None
IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
None
IBA  A   1 ( 4.3A)
 0.59A 4mwrA-1vcjA:
53.8		 4mwrA-1vcjA:
31.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 135
ASP A 152
ARG A 153
TRP A 180
ILE A 224
 None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
None
ABW  A1000 ( 4.7A)
 0.25A 4mwrA-1xogA:
74.6		 4mwrA-1xogA:
94.59
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		4 LEU A 338
ASP A 287
ARG A 288
ILE A 416
 None
 1.43A 4mwrA-2aafA:
undetectable		 4mwrA-2aafA:
20.71
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.
2arc ARABINOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF02311
(AraC_binding) 		4 LEU A 161
ARG A 101
TRP A 104
ILE A 153
 None
 1.44A 4mwrA-2arcA:
undetectable		 4mwrA-2arcA:
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.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		4 ASP A 105
ARG A 160
TRP A 164
ILE A 103
 None
 1.39A 4mwrA-2ashA:
undetectable		 4mwrA-2ashA:
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  97
ASP A  35
ARG A  50
TRP A  95
 None
 1.47A 4mwrA-2bujA:
undetectable		 4mwrA-2bujA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxh PROBABLE BRIX-DOMAIN
RIBOSOMAL BIOGENESIS
PROTEIN

(Aeropyrum
pernix) 		no annotation 4 LEU A  17
ASP A  65
ARG A  66
ILE A  94
 None
 1.41A 4mwrA-2cxhA:
undetectable		 4mwrA-2cxhA:
20.71
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.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE

(Salmonella
enterica) 		PF01263
(Aldose_epim) 		4 LEU A 105
ASP A  27
ARG A  20
ILE A  11
 None
 1.45A 4mwrA-2htbA:
undetectable		 4mwrA-2htbA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
 0.75A 4mwrA-2htvA:
62.7		 4mwrA-2htvA:
43.00
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.
2mta CYTOCHROME C551I

(Paracoccus
denitrificans) 		PF13442
(Cytochrome_CBB3) 		4 LEU C 108
ASP C 111
ARG C 115
ILE C  45
 None
 1.11A 4mwrA-2mtaC:
undetectable		 4mwrA-2mtaC:
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 304
ASP A 273
ARG A 277
ILE A 248
 None
 1.05A 4mwrA-2nqlA:
undetectable		 4mwrA-2nqlA:
20.89
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.
2p24 H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U ALPHA
CHAIN
H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 LEU B 175
ASP B 141
ARG B 125
ILE A   1
 None
 1.40A 4mwrA-2p24B:
undetectable		 4mwrA-2p24B:
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 LEU A 248
ASP A 165
ARG A 168
ILE A 267
 None
 1.43A 4mwrA-2p3xA:
undetectable		 4mwrA-2p3xA:
20.69
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 432
ASP A 430
ARG A 523
ILE A 521
 None
 1.47A 4mwrA-2v7bA:
undetectable		 4mwrA-2v7bA:
21.11
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		4 LEU A 422
ASP A 434
ARG A 437
ILE A 142
 None
 1.15A 4mwrA-2ve3A:
undetectable		 4mwrA-2ve3A:
20.96
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.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		4 LEU A 108
ASP A  91
ARG A 282
ILE A  15
 None
 1.23A 4mwrA-2vefA:
undetectable		 4mwrA-2vefA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 LEU A 544
ASP A 490
ARG A 505
ILE A  43
 None
 1.48A 4mwrA-2vpwA:
undetectable		 4mwrA-2vpwA:
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 LEU A 463
ASP A 465
TRP A 467
ILE A 514
 None
 1.43A 4mwrA-2xy9A:
undetectable		 4mwrA-2xy9A:
21.19
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 200
ARG A  91
TRP A 199
ILE A 168
 None
 1.27A 4mwrA-2y3sA:
undetectable		 4mwrA-2y3sA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		4 LEU A 118
ASP A 101
ARG A 268
ILE A  26
 None
 1.33A 4mwrA-2y5jA:
undetectable		 4mwrA-2y5jA:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 4 LEU X 125
ASP X 113
TRP X 111
ILE X 103
 None
 1.08A 4mwrA-2z22X:
undetectable		 4mwrA-2z22X:
21.93
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.
3cfz UPF0100 PROTEIN
MJ1186

(Methanocaldococcus
jannaschii) 		PF13531
(SBP_bac_11) 		4 LEU A 273
ASP A  96
ARG A 163
ILE A 287
 None
 1.43A 4mwrA-3cfzA:
undetectable		 4mwrA-3cfzA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
None
None
 0.15A 4mwrA-3ckzA:
64.3		 4mwrA-3ckzA:
48.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 LEU A 259
ASP A  67
ARG A  72
ILE A 247
 None
 1.21A 4mwrA-3cq5A:
undetectable		 4mwrA-3cq5A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		4 LEU A 130
ASP A  76
TRP A  80
ILE A  93
 None
 1.47A 4mwrA-3e4fA:
undetectable		 4mwrA-3e4fA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A 192
ARG A 186
TRP A 191
ILE A 130
 None
 1.10A 4mwrA-3e8sA:
undetectable		 4mwrA-3e8sA:
18.54
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.
3g5w MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A 235
ASP A 280
ARG A 234
ILE A 165
 None
 1.39A 4mwrA-3g5wA:
undetectable		 4mwrA-3g5wA:
20.71
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 LEU A 330
ASP A 328
ARG A 324
TRP A 325
 None
 1.44A 4mwrA-3gcfA:
undetectable		 4mwrA-3gcfA:
21.37
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A 470
ASP A 473
ARG A 483
ILE A 513
 None
 1.20A 4mwrA-3gdnA:
undetectable		 4mwrA-3gdnA:
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.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 4 ASP A 146
ARG A 171
TRP A 162
ILE A 149
 None
 1.31A 4mwrA-3hftA:
undetectable		 4mwrA-3hftA:
19.64
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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 LEU A 285
ASP A 310
ARG A 325
ILE A 327
 None
 1.48A 4mwrA-3hwwA:
undetectable		 4mwrA-3hwwA:
20.90
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		4 LEU A 225
ASP A 274
ARG A  88
ILE A 214
 None
 1.18A 4mwrA-3ihgA:
undetectable		 4mwrA-3ihgA:
21.81
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		4 LEU A 604
ASP A 599
ARG A 628
ILE A 559
 None
 1.14A 4mwrA-3j9dA:
undetectable		 4mwrA-3j9dA:
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.
3jst PUTATIVE
PTERIN-4-ALPHA-CARBI
NOLAMINE DEHYDRATASE

(Brucella
melitensis) 		PF01329
(Pterin_4a) 		4 LEU A  15
ASP A  19
ARG A  32
TRP A  21
 None
 1.45A 4mwrA-3jstA:
undetectable		 4mwrA-3jstA:
16.29
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 LEU A 441
ASP A 436
ARG A 439
TRP A 440
 None
 1.49A 4mwrA-3na0A:
undetectable		 4mwrA-3na0A:
19.92
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.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1

(Necator
americanus) 		PF00188
(CAP) 		4 ASP A  34
ARG A  37
TRP A  74
ILE A  32
 None
 1.35A 4mwrA-3nt8A:
undetectable		 4mwrA-3nt8A:
21.57
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.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)

(Corynebacterium
glutamicum) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 LEU A 239
ASP A 200
ARG A 187
ILE A 175
 None
 1.40A 4mwrA-3oh8A:
undetectable		 4mwrA-3oh8A:
21.98
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.
3p8c ABL INTERACTOR 2
NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF07815
(Abi_HHR)
PF09735
(Nckap1) 		4 LEU B 143
ASP B  99
ARG B  23
ILE F 141
 None
 1.47A 4mwrA-3p8cB:
undetectable		 4mwrA-3p8cB:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rs1 C-TYPE LECTIN DOMAIN
FAMILY 2 MEMBER I

(Mus musculus) 		PF00059
(Lectin_C) 		4 ASP A 147
ARG A 198
TRP A 149
ILE A 196
 CL  A 301 (-4.9A)
None
None
None
 1.46A 4mwrA-3rs1A:
undetectable		 4mwrA-3rs1A:
15.53
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.
3s7z PUTATIVE ASPARTATE
RACEMASE

(Salmonella
enterica) 		PF01177
(Asp_Glu_race) 		4 LEU A  53
ASP A  48
ARG A  49
ILE A  46
 None
None
SIN  A 300 (-3.8A)
None
 1.33A 4mwrA-3s7zA:
undetectable		 4mwrA-3s7zA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
None
None
 0.13A 4mwrA-3ti8A:
65.1		 4mwrA-3ti8A:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
None
None
 0.11A 4mwrA-3tiaA:
64.8		 4mwrA-3tiaA:
42.28
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.
3u0h XYLOSE ISOMERASE
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01261
(AP_endonuc_2) 		4 LEU A 235
ASP A 176
TRP A 180
ILE A 226
 None
 1.42A 4mwrA-3u0hA:
undetectable		 4mwrA-3u0hA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 LEU A 205
ARG A  51
TRP A  53
ILE A  22
 None
 1.34A 4mwrA-3v7iA:
undetectable		 4mwrA-3v7iA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A 230
ASP A 275
ARG A 229
ILE A 147
 None
 1.42A 4mwrA-3v9eA:
undetectable		 4mwrA-3v9eA:
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 319
ASP A 294
TRP A 295
ILE A 292
 None
 1.30A 4mwrA-3wd8A:
undetectable		 4mwrA-3wd8A:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 LEU A 134
ASP A 151
ARG A 152
TRP A 179
 None
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
 0.26A 4mwrA-4b7jA:
64.3		 4mwrA-4b7jA:
40.76
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 LEU A 362
ASP A 355
ARG A 352
ILE A 397
 None
 1.34A 4mwrA-4b9yA:
undetectable		 4mwrA-4b9yA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 LEU A 131
ASP A 148
ARG A 149
TRP A 176
ILE A 220
 None
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
None
None
 0.14A 4mwrA-4cpnA:
54.2		 4mwrA-4cpnA:
28.93
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 542
ASP A 544
ARG A 208
ILE A 546
 None
None
ACT  A 602 (-4.7A)
None
 1.36A 4mwrA-4di5A:
undetectable		 4mwrA-4di5A:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
None
None
 0.15A 4mwrA-4h53A:
64.8		 4mwrA-4h53A:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
 0.19A 4mwrA-4hzzA:
63.0		 4mwrA-4hzzA:
48.61
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.
4i1f E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Homo sapiens) 		PF01485
(IBR) 		4 LEU A 176
ASP A 185
ARG A 191
ILE A 188
 None
 1.46A 4mwrA-4i1fA:
undetectable		 4mwrA-4i1fA:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 ( 4.6A)
 0.63A 4mwrA-4mjuA:
62.5		 4mwrA-4mjuA:
44.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A  52
ASP A  69
ARG A  70
TRP A  97
ILE A 141
 None
 0.34A 4mwrA-4qn3A:
71.2		 4mwrA-4qn3A:
62.05
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.
4u0q BASIGIN

(Homo sapiens) 		PF13927
(Ig_3) 		4 LEU B 150
ASP B 147
ARG B 184
ILE B 197
 None
 1.36A 4mwrA-4u0qB:
undetectable		 4mwrA-4u0qB:
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.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Aggregatibacter
actinomycetemcomitans) 		PF01522
(Polysacc_deac_1) 		4 LEU A  88
ASP A  26
ARG A  27
ILE A 261
 None
 1.41A 4mwrA-4u10A:
undetectable		 4mwrA-4u10A:
22.03
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		4 LEU A 257
ASP A 190
TRP A 216
ILE A 231
 None
 1.21A 4mwrA-4v2iA:
undetectable		 4mwrA-4v2iA:
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 417
ASP A 415
ARG A 509
ILE A 507
 None
 1.49A 4mwrA-4wv3A:
undetectable		 4mwrA-4wv3A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli) 		PF05861
(PhnI) 		4 LEU C 204
ASP C 318
ARG C 198
ILE C 178
 None
 1.38A 4mwrA-4xb6C:
undetectable		 4mwrA-4xb6C:
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.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 322
ASP A 297
TRP A 298
ILE A 295
 None
 1.27A 4mwrA-4yjyA:
undetectable		 4mwrA-4yjyA:
20.76
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Oryctolagus
cuniculus) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 LEU C 718
ASP A 337
ARG A 340
ILE A 348
 None
 1.29A 4mwrA-5a5tC:
undetectable		 4mwrA-5a5tC:
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		4 ASP A  69
ARG A  67
TRP A 108
ILE A  72
 None
 1.28A 4mwrA-5bptA:
7.7		 4mwrA-5bptA:
18.90
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		4 LEU A 840
ASP A 834
ARG A 782
ILE A 895
 None
 1.11A 4mwrA-5fdnA:
undetectable		 4mwrA-5fdnA:
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		4 LEU A 391
ASP A 375
ARG A 378
TRP A 409
 None
 1.31A 4mwrA-5j55A:
5.8		 4mwrA-5j55A:
18.64
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.
5jq9 DIHYDROPTEROATE
SYNTHASE

(Yersinia pestis) 		PF00809
(Pterin_bind) 		4 LEU A 113
ASP A  96
ARG A 255
ILE A  20
 None
6MB  A 301 (-3.2A)
6MB  A 301 (-3.1A)
None
 1.38A 4mwrA-5jq9A:
undetectable		 4mwrA-5jq9A:
20.25
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.
5ta9 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF04616
(Glyco_hydro_43) 		4 LEU A  76
ASP A  79
ARG A  88
ILE A  86
 None
 1.41A 4mwrA-5ta9A:
12.5		 4mwrA-5ta9A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		4 LEU A 316
ASP A 120
TRP A 122
ILE A  96
 None
 1.32A 4mwrA-5ufhA:
undetectable		 4mwrA-5ufhA:
22.79
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 LEU A 113
ASP A  96
ARG A 255
ILE A  20
 None
GOL  A 303 ( 4.7A)
GOL  A 303 ( 4.0A)
None
 1.39A 4mwrA-5uswA:
undetectable		 4mwrA-5uswA:
20.36
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.
5uv4 PUTATIVE
LEUCINE-RICH REPEAT
PROTEIN KINASE
FAMILY PROTEIN

(Zea mays) 		PF07714
(Pkinase_Tyr) 		4 LEU A 986
ASP A 981
ARG A 984
ILE A1024
 None
 1.49A 4mwrA-5uv4A:
undetectable		 4mwrA-5uv4A:
22.03
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 LEU f 560
ASP f 784
ARG f 785
ILE f 660
 None
 1.17A 4mwrA-5vhif:
undetectable		 4mwrA-5vhif:
18.37
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.
5w5y RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN6

(Saccharomyces
cerevisiae) 		PF10214
(Rrn6) 		4 LEU O 357
ASP O 376
TRP O 360
ILE O 402
 None
 1.38A 4mwrA-5w5yO:
5.1		 4mwrA-5w5yO:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		4 LEU A 145
ASP A 133
TRP A 131
ILE A 123
 None
 1.03A 4mwrA-5wnnA:
undetectable		 4mwrA-5wnnA:
20.71
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 313
ASP A 288
TRP A 289
ILE A 286
 None
 1.35A 4mwrA-5wx3A:
undetectable		 4mwrA-5wx3A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 4 LEU A 275
ASP A 241
ARG A 244
ILE A  81
 None
 1.47A 4mwrA-5x8oA:
undetectable		 4mwrA-5x8oA:
11.14
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.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 4 LEU A  69
ASP A  74
TRP A  95
ILE A  72
 None
 1.46A 4mwrA-5xv7A:
undetectable		 4mwrA-5xv7A:
12.80
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 LEU A 134
ASP A 151
ARG A 152
TRP A 178
ILE A 222
 None
E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
None
E3M  A 511 ( 4.3A)
 0.22A 4mwrA-6br6A:
64.6		 4mwrA-6br6A:
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.
6g4q SUCCINATE--COA
LIGASE [ADP-FORMING]
SUBUNIT BETA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 LEU B  90
ASP B  94
ARG B 160
ILE B 121
 None
 1.24A 4mwrA-6g4qB:
undetectable		 4mwrA-6g4qB:
11.98