SIMILAR PATTERNS OF AMINO ACIDS FOR 1QWC_A_H4BA901_1

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN


(Sphingomonas
paucimobilis)
PF02900
(LigB)
3 ARG B  91
VAL B  96
TRP B 143
None
0.85A 1qwcA-1bouB:
0.0
1qwcA-1bouB:
21.00
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.
1crk CREATINE KINASE

(Gallus gallus)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 125
VAL A 222
TRP A 223
PO4  A 401 (-2.7A)
None
None
1.03A 1qwcA-1crkA:
0.0
1qwcA-1crkA:
22.44
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.
1fzq ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3


(Mus musculus)
PF00025
(Arf)
3 ARG A 149
VAL A 152
TRP A 153
None
MES  A 201 (-3.8A)
MES  A 201 (-4.1A)
1.21A 1qwcA-1fzqA:
0.0
1qwcA-1fzqA:
17.49
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.
1itz TRANSKETOLASE

(Zea mays)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 310
VAL A 304
TRP A 308
None
0.90A 1qwcA-1itzA:
0.9
1qwcA-1itzA:
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
3 ARG A 101
VAL A 163
TRP A  36
None
1.09A 1qwcA-1j0nA:
0.0
1qwcA-1j0nA:
19.87
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.
1j5w GLYCYL-TRNA
SYNTHETASE ALPHA
CHAIN


(Thermotoga
maritima)
PF02091
(tRNA-synt_2e)
3 ARG A 163
VAL A 129
TRP A 130
None
1.14A 1qwcA-1j5wA:
undetectable
1qwcA-1j5wA:
23.00
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.
1kcw CERULOPLASMIN

(Homo sapiens)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 ARG A 845
VAL A 880
TRP A 858
None
1.24A 1qwcA-1kcwA:
0.0
1qwcA-1kcwA:
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.
1lgy TRIACYLGLYCEROL
LIPASE


(Rhizopus niveus)
PF01764
(Lipase_3)
3 ARG A 203
VAL A 200
TRP A 224
None
1.04A 1qwcA-1lgyA:
0.0
1qwcA-1lgyA:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE


(Rattus
norvegicus)
PF02898
(NO_synthase)
3 ARG A 596
VAL A 677
TRP A 678
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
0.11A 1qwcA-1lzxA:
18.1
1qwcA-1lzxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN


(Escherichia
coli)
PF03872
(RseA_N)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
3 ARG C  40
VAL A  27
TRP C  33
None
1.14A 1qwcA-1or7C:
undetectable
1qwcA-1or7C:
12.56
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR


(Homo sapiens)
PF00386
(C1q)
3 ARG A 163
VAL A 195
TRP A 194
None
1.15A 1qwcA-1pk6A:
undetectable
1qwcA-1pk6A:
16.67
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum)
PF01228
(Gly_radical)
PF02901
(PFL-like)
3 ARG A  31
VAL A 122
TRP A 126
None
1.21A 1qwcA-1r8wA:
undetectable
1qwcA-1r8wA:
19.62
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans)
PF03598
(CdhC)
3 ARG A 312
VAL A 152
TRP A 154
None
1.04A 1qwcA-1ru3A:
undetectable
1qwcA-1ru3A:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT


(Pseudomonas
putida)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
3 ARG B  49
VAL B  45
TRP B 281
None
1.09A 1qwcA-1t3qB:
undetectable
1qwcA-1t3qB:
19.52
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.
1u6r CREATINE KINASE, M
CHAIN


(Oryctolagus
cuniculus)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 129
VAL A 226
TRP A 227
ADP  A1801 (-3.1A)
None
None
0.88A 1qwcA-1u6rA:
undetectable
1qwcA-1u6rA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT


(Rhodococcus
jostii)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 ARG A 335
VAL A 342
TRP A 343
None
1.17A 1qwcA-1uliA:
undetectable
1qwcA-1uliA:
21.04
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT


(Mus musculus)
PF00400
(WD40)
3 ARG C 316
VAL C 237
TRP C 236
None
1.20A 1qwcA-1vyhC:
undetectable
1qwcA-1vyhC:
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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE


(Pseudomonas
fluorescens)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 ARG A 345
VAL A 352
TRP A 353
None
1.17A 1qwcA-1wqlA:
undetectable
1qwcA-1wqlA:
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.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus)
PF00264
(Tyrosinase)
3 ARG A  92
VAL A 147
TRP A 196
None
1.26A 1qwcA-1wx4A:
undetectable
1qwcA-1wx4A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli)
PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C)
3 ARG A 632
VAL A 341
TRP A 323
None
1.17A 1qwcA-1xdpA:
undetectable
1qwcA-1xdpA:
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.
1xkd ISOCITRATE
DEHYDROGENASE


(Aeropyrum
pernix)
PF00180
(Iso_dh)
3 ARG A 139
VAL A 302
TRP A 219
None
1.20A 1qwcA-1xkdA:
undetectable
1qwcA-1xkdA:
20.67
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.
1xx5 NATRIN 1

(Naja atra)
PF00188
(CAP)
PF08562
(Crisp)
3 ARG A  51
VAL A 144
TRP A  52
None
1.15A 1qwcA-1xx5A:
undetectable
1qwcA-1xx5A:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE


(Thermus
thermophilus)
PF00342
(PGI)
3 ARG A  34
VAL A 184
TRP A  43
None
1.11A 1qwcA-1zzgA:
undetectable
1qwcA-1zzgA:
20.09
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.
2buc DIPEPTIDYL PEPTIDASE
IV


(Sus scrofa)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
3 ARG A 184
VAL A 167
TRP A 168
None
1.26A 1qwcA-2bucA:
1.4
1qwcA-2bucA:
20.52
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.
2dfe RIBONUCLEASE HII

(Thermococcus
kodakarensis)
PF01351
(RNase_HII)
3 ARG A 177
VAL A 194
TRP A 198
None
1.13A 1qwcA-2dfeA:
undetectable
1qwcA-2dfeA:
19.09
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum)
PF14498
(Glyco_hyd_65N_2)
3 ARG A 157
VAL A  71
TRP A  63
None
1.09A 1qwcA-2eaeA:
undetectable
1qwcA-2eaeA:
17.61
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.
2ess ACYL-ACP
THIOESTERASE


(Bacteroides
thetaiotaomicron)
PF01643
(Acyl-ACP_TE)
3 ARG A 110
VAL A  84
TRP A  83
None
1.15A 1qwcA-2essA:
undetectable
1qwcA-2essA:
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)


(Homo sapiens)
PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP)
3 ARG A 230
VAL A 206
TRP A 196
None
1.26A 1qwcA-2hgsA:
undetectable
1qwcA-2hgsA:
22.13
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT


(Aromatoleum
aromaticum)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
3 ARG A 906
VAL A 918
TRP A 921
None
1.19A 1qwcA-2ivfA:
undetectable
1qwcA-2ivfA:
18.34
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.
2ixn SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 2


(Saccharomyces
cerevisiae)
PF03095
(PTPA)
3 ARG A 251
VAL A 190
TRP A 191
None
0.96A 1qwcA-2ixnA:
undetectable
1qwcA-2ixnA:
21.03
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 124
VAL A 220
TRP A 221
None
0.85A 1qwcA-2j1qA:
undetectable
1qwcA-2j1qA:
21.66
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.
2m47 UNCHARACTERIZED
PROTEIN CGL2373


(Corynebacterium
glutamicum)
PF10604
(Polyketide_cyc2)
3 ARG A 133
VAL A  84
TRP A  91
None
1.13A 1qwcA-2m47A:
undetectable
1qwcA-2m47A:
16.78
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.
2oae DIPEPTIDYL PEPTIDASE
4


(Rattus
norvegicus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
3 ARG A 182
VAL A 165
TRP A 166
None
1.21A 1qwcA-2oaeA:
1.1
1qwcA-2oaeA:
20.41
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.
2p7v REGULATOR OF SIGMA D

(Escherichia
coli)
PF04353
(Rsd_AlgQ)
3 ARG A 137
VAL A  25
TRP A  22
None
0.79A 1qwcA-2p7vA:
undetectable
1qwcA-2p7vA:
18.25
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2


(Macaca
fascicularis)
PF13417
(GST_N_3)
3 ARG A 322
VAL A 315
TRP A 314
None
1.19A 1qwcA-2pbjA:
undetectable
1qwcA-2pbjA:
20.95
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.
2vm5 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00653
(BIR)
3 ARG A 162
VAL A 180
TRP A 214
None
GOL  A1246 ( 4.8A)
None
1.25A 1qwcA-2vm5A:
undetectable
1qwcA-2vm5A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
3 ARG A 128
VAL A 359
TRP A 360
None
1.20A 1qwcA-2yheA:
undetectable
1qwcA-2yheA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzy PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1012


(Thermus
thermophilus)
no annotation 3 ARG A  68
VAL A  89
TRP A  90
None
1.07A 1qwcA-2yzyA:
undetectable
1qwcA-2yzyA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
3 ARG A 351
VAL A 424
TRP A 427
None
1.21A 1qwcA-2z1aA:
undetectable
1qwcA-2z1aA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfm BIOTIN PROTEIN
LIGASE-LIKE PROTEIN
OF UNKNOWN FUNCTION


(Ruegeria sp.
TM1040)
PF14563
(DUF4444)
PF16917
(BPL_LplA_LipB_2)
3 ARG A 196
VAL A 208
TRP A  92
None
0.98A 1qwcA-3bfmA:
undetectable
1qwcA-3bfmA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1


(Arabidopsis
thaliana;
Escherichia
coli)
PF00400
(WD40)
PF01547
(SBP_bac_1)
3 ARG A1058
VAL A1032
TRP A1043
None
1.15A 1qwcA-3dm0A:
undetectable
1qwcA-3dm0A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)


(Bos taurus)
PF02267
(Rib_hydrolayse)
3 ARG A 132
VAL A 199
TRP A 231
None
1.09A 1qwcA-3gc6A:
undetectable
1qwcA-3gc6A:
19.01
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA


(Comamonas
testosteroni)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 ARG A 343
VAL A 350
TRP A 351
None
1.21A 1qwcA-3gzyA:
undetectable
1qwcA-3gzyA:
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN


(Enterococcus
faecium)
PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI)
3 ARG A 152
VAL A 155
TRP A 153
None
0.67A 1qwcA-3m4xA:
undetectable
1qwcA-3m4xA:
22.65
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.
3mga ENTEROCHELIN
ESTERASE


(Salmonella
enterica)
PF00756
(Esterase)
PF11806
(DUF3327)
3 ARG A 114
VAL A 353
TRP A 314
None
1.04A 1qwcA-3mgaA:
undetectable
1qwcA-3mgaA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mga ENTEROCHELIN
ESTERASE


(Salmonella
enterica)
PF00756
(Esterase)
PF11806
(DUF3327)
3 ARG A 118
VAL A 353
TRP A 314
GOL  A 407 ( 4.6A)
None
None
0.80A 1qwcA-3mgaA:
undetectable
1qwcA-3mgaA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odo RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1


(Homo sapiens)
PF00621
(RhoGEF)
3 ARG A 514
VAL A 470
TRP A 507
None
1.21A 1qwcA-3odoA:
undetectable
1qwcA-3odoA:
23.63
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.
3p5s CD38 MOLECULE

(Bos taurus)
PF02267
(Rib_hydrolayse)
3 ARG A 132
VAL A 199
TRP A 231
None
1.13A 1qwcA-3p5sA:
undetectable
1qwcA-3p5sA:
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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis)
PF00069
(Pkinase)
3 ARG A 220
VAL A 229
TRP A 226
None
1.06A 1qwcA-3qa8A:
undetectable
1qwcA-3qa8A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s95 LIM DOMAIN KINASE 1

(Homo sapiens)
PF07714
(Pkinase_Tyr)
3 ARG A 555
VAL A 538
TRP A 515
GOL  A   4 ( 3.9A)
None
None
1.22A 1qwcA-3s95A:
undetectable
1qwcA-3s95A:
21.14
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4


(Rattus
norvegicus)
PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition)
3 ARG B 589
VAL B 547
TRP B 550
None
0.89A 1qwcA-3v65B:
undetectable
1qwcA-3v65B:
22.25
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.
3vac CFA/I FIMBRIAL
SUBUNIT E


(Escherichia
coli)
PF07434
(CblD)
3 ARG A  41
VAL A 196
TRP A 171
None
0.94A 1qwcA-3vacA:
undetectable
1qwcA-3vacA:
22.29
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum)
PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2)
3 ARG A 158
VAL A 126
TRP A 128
None
1.18A 1qwcA-3vszA:
undetectable
1qwcA-3vszA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhl ARGININE KINASE

(Litopenaeus
vannamei)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 124
VAL A 220
TRP A 221
None
0.83A 1qwcA-4bhlA:
undetectable
1qwcA-4bhlA:
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus)
PF00994
(MoCF_biosynth)
PF02464
(CinA)
3 ARG A  62
VAL A 148
TRP A 139
None
1.15A 1qwcA-4ctaA:
undetectable
1qwcA-4ctaA:
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.
4d0m RAS-RELATED PROTEIN
RAB-11A


(Homo sapiens)
PF00071
(Ras)
3 ARG B  82
VAL B  15
TRP B  65
None
1.22A 1qwcA-4d0mB:
undetectable
1qwcA-4d0mB:
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA


(Homo sapiens)
PF00069
(Pkinase)
3 ARG A 118
VAL A 433
TRP A 434
None
1.10A 1qwcA-4e3cA:
undetectable
1qwcA-4e3cA:
20.18
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.
4jm2 GP120

(Human
immunodeficiency
virus 1)
PF00516
(GP120)
3 ARG E 350
VAL E 360
TRP E 395
None
1.13A 1qwcA-4jm2E:
undetectable
1qwcA-4jm2E:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l3w LIPASE

(Rhizopus
microsporus)
PF01764
(Lipase_3)
3 ARG A 230
VAL A 227
TRP A 251
EDO  A 305 (-4.0A)
None
None
1.21A 1qwcA-4l3wA:
undetectable
1qwcA-4l3wA:
22.63
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE


(Bacteroides
vulgatus)
PF13204
(DUF4038)
PF16586
(DUF5060)
3 ARG A 165
VAL A 269
TRP A 270
None
1.13A 1qwcA-4n0rA:
undetectable
1qwcA-4n0rA:
22.55
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.
4oby ARGININE--TRNA
LIGASE


(Escherichia
coli)
PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1)
3 ARG A 324
VAL A 352
TRP A 349
ARG  A 601 ( 4.6A)
None
None
1.25A 1qwcA-4obyA:
1.8
1qwcA-4obyA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN


(Pseudoalteromonas
sp. SM9913)
no annotation 3 ARG H 301
VAL H 429
TRP H 377
None
1.22A 1qwcA-4qfkH:
undetectable
1qwcA-4qfkH:
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 128
VAL A 224
TRP A 225
ARG  A 806 (-4.3A)
None
None
0.93A 1qwcA-4rf7A:
undetectable
1qwcA-4rf7A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 480
VAL A 576
TRP A 577
None
0.88A 1qwcA-4rf7A:
undetectable
1qwcA-4rf7A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tpt LIM DOMAIN KINASE 2

(Homo sapiens)
PF07714
(Pkinase_Tyr)
3 ARG A 552
VAL A 535
TRP A 512
None
1.23A 1qwcA-4tptA:
undetectable
1qwcA-4tptA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3a ENDOGLUCANASE H

(Ruminiclostridium
thermocellum)
PF00150
(Cellulase)
3 ARG A 124
VAL A 317
TRP A 347
None
1.05A 1qwcA-4u3aA:
0.5
1qwcA-4u3aA:
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.
4ubd MONOCLONAL ANTIBODY
H CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG C 112
VAL C  37
TRP C  47
None
1.23A 1qwcA-4ubdC:
undetectable
1qwcA-4ubdC:
19.86
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti)
PF00884
(Sulfatase)
PF12411
(Choline_sulf_C)
3 ARG A  69
VAL A 357
TRP A 360
None
1.23A 1qwcA-4ug4A:
undetectable
1qwcA-4ug4A:
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.
4uul L-LACTATE
DEHYDROGENASE


(Trichomonas
vaginalis)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
3 ARG A 310
VAL A 191
TRP A 183
None
1.16A 1qwcA-4uulA:
undetectable
1qwcA-4uulA:
20.77
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.
4v1l CARBOHYDRATE BINDING
MODULE


(Ruminococcus
flavefaciens)
no annotation 3 ARG A 515
VAL A 549
TRP A 607
GOL  A1626 ( 4.8A)
None
None
1.04A 1qwcA-4v1lA:
undetectable
1qwcA-4v1lA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 ARG A 121
VAL A 217
TRP A 218
ADP  A 801 (-3.1A)
None
None
1.00A 1qwcA-4woeA:
undetectable
1qwcA-4woeA:
21.34
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE


(Homo sapiens)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C)
3 ARG A 149
VAL A 101
TRP A 156
None
1.26A 1qwcA-4xwhA:
undetectable
1qwcA-4xwhA:
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6)
PF13417
(GST_N_3)
3 ARG A  26
VAL A  74
TRP A  73
None
0.95A 1qwcA-4yamA:
undetectable
1qwcA-4yamA:
21.46
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.
4ynv ACL4

(Chaetomium
thermophilum)
PF13432
(TPR_16)
3 ARG A 298
VAL A 290
TRP A 291
None
0.93A 1qwcA-4ynvA:
undetectable
1qwcA-4ynvA:
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.
4z48 UNCHARACTERIZED
PROTEIN


(Desulfovibrio
piger)
PF17131
(LolA_like)
3 ARG A 127
VAL A 103
TRP A 104
None
1.12A 1qwcA-4z48A:
undetectable
1qwcA-4z48A:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT


(Sulfurisphaera
tokodaii)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
3 ARG A  38
VAL A  34
TRP A 241
None
0.89A 1qwcA-4zohA:
undetectable
1qwcA-4zohA:
20.28
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE


(Acinetobacter
baumannii)
PF01208
(URO-D)
3 ARG A  31
VAL A 336
TRP A 335
None
1.20A 1qwcA-4zr8A:
undetectable
1qwcA-4zr8A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3


(Acinetobacter
baumannii)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
3 ARG A  14
VAL A  71
TRP A  85
None
1.02A 1qwcA-4zxiA:
undetectable
1qwcA-4zxiA:
15.78
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.
5a7d INSCUTEABLE
PINS


(Drosophila
melanogaster)
PF13176
(TPR_7)
PF13424
(TPR_12)
no annotation
3 ARG B 339
VAL L 310
TRP L 313
None
0.94A 1qwcA-5a7dB:
undetectable
1qwcA-5a7dB:
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA


(Paraburkholderia
xenovorans)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 ARG A 345
VAL A 352
TRP A 353
None
1.19A 1qwcA-5aewA:
undetectable
1qwcA-5aewA:
23.52
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E
REELIN


(Homo sapiens;
Mus musculus)
PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF07974
(EGF_2)
PF14670
(FXa_inhibition)
3 ARG A2364
VAL B  62
TRP B  63
None
1.27A 1qwcA-5b4xA:
undetectable
1qwcA-5b4xA:
18.75
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.
5dis GTP-BINDING NUCLEAR
PROTEIN RAN


(Homo sapiens)
PF00071
(Ras)
3 ARG B 106
VAL B 101
TRP B 104
None
1.26A 1qwcA-5disB:
undetectable
1qwcA-5disB:
17.38
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.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis)
PF00067
(p450)
3 ARG A 239
VAL A 137
TRP A 142
EDO  A 409 (-4.3A)
EDO  A 409 (-4.5A)
EDO  A 409 (-4.2A)
1.18A 1qwcA-5ex8A:
undetectable
1qwcA-5ex8A:
20.93
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT


(Aquifex
aeolicus)
PF02091
(tRNA-synt_2e)
3 ARG A 163
VAL A 129
TRP A 130
G5A  A 300 (-4.0A)
None
None
1.25A 1qwcA-5f5wA:
undetectable
1qwcA-5f5wA:
21.25
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE


(Desulfovibrio
alaskensis)
PF01228
(Gly_radical)
PF02901
(PFL-like)
3 ARG A  80
VAL A 172
TRP A 176
None
1.19A 1qwcA-5favA:
undetectable
1qwcA-5favA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjn L-AMINO ACID
DEAMINASE


(Cosenzaea
myxofaciens)
PF01266
(DAO)
3 ARG A 316
VAL A 438
TRP A 439
BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
0.97A 1qwcA-5fjnA:
undetectable
1qwcA-5fjnA:
23.81
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.
5fkc BETA-FRUCTOFURANOSID
ASE


(Xanthophyllomyces
dendrorhous)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
3 ARG A 520
VAL A 543
TRP A 532
None
0.90A 1qwcA-5fkcA:
undetectable
1qwcA-5fkcA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)


(Malassezia
globosa)
PF01764
(Lipase_3)
3 ARG A 227
VAL A 224
TRP A 248
None
1.26A 1qwcA-5gw8A:
undetectable
1qwcA-5gw8A:
21.04
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.
5h2g DIAMINOPIMELATE
EPIMERASE


(Corynebacterium
glutamicum)
PF01678
(DAP_epimerase)
3 ARG A 209
VAL A 195
TRP A 211
None
1.21A 1qwcA-5h2gA:
undetectable
1qwcA-5h2gA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B


(Homo sapiens)
PF00386
(C1q)
3 ARG A  76
VAL A 108
TRP A 107
None
1.15A 1qwcA-5hkjA:
undetectable
1qwcA-5hkjA:
21.84
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE


(Mus musculus)
PF00149
(Metallophos)
3 ARG A 494
VAL A 476
TRP A 551
None
1.26A 1qwcA-5hqnA:
undetectable
1qwcA-5hqnA:
21.30
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.
5jem INTERFERON
REGULATORY FACTOR 3


(Homo sapiens)
PF10401
(IRF-3)
3 ARG A 236
VAL A 243
TRP A 241
None
1.11A 1qwcA-5jemA:
undetectable
1qwcA-5jemA:
19.15
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.
5jyl SCFV TSP7

(Mus musculus)
PF07686
(V-set)
3 ARG B  99
VAL B  37
TRP B  47
None
1.01A 1qwcA-5jylB:
undetectable
1qwcA-5jylB:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus)
no annotation 3 ARG A 839
VAL A 874
TRP A 852
None
1.24A 1qwcA-5n4lA:
undetectable
1qwcA-5n4lA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocp -

(-)
no annotation 3 ARG A 143
VAL A 225
TRP A  14
AHR  A 407 ( 2.6A)
None
AHR  A 407 ( 4.8A)
0.94A 1qwcA-5ocpA:
undetectable
1qwcA-5ocpA:
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.
5oj3 -

(-)
no annotation 3 ARG A 397
VAL A 377
TRP A 378
None
1.22A 1qwcA-5oj3A:
undetectable
1qwcA-5oj3A:
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5


(Homo sapiens)
PF00227
(Proteasome)
3 ARG R 186
VAL R 179
TRP R 184
None
1.21A 1qwcA-5t0gR:
undetectable
1qwcA-5t0gR:
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN


(Deinococcus
radiodurans)
no annotation 3 ARG A 277
VAL A 253
TRP A 255
None
1.17A 1qwcA-5xevA:
1.1
1qwcA-5xevA:
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE


(Trichomonas
vaginalis)
no annotation 3 ARG g  75
VAL g  49
TRP g  60
None
1.20A 1qwcA-5xyig:
undetectable
1qwcA-5xyig:
20.14
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.
6cfw MBH13 NADH
DEHYDROGENASE
SUBUNIT
PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ


(Pyrococcus
furiosus)
no annotation 3 ARG M  29
VAL J  57
TRP J  26
None
1.26A 1qwcA-6cfwM:
1.5
1qwcA-6cfwM:
10.00