SIMILAR PATTERNS OF AMINO ACIDS FOR 5WQP_A_NCAA302_0

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.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		4 SER A 398
MET A 331
TYR A 404
MET A 371
 None
 1.18A 5wqpA-1gcbA:
undetectable		 5wqpA-1gcbA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		4 SER A 139
GLN A 140
TYR A 152
MET A 189
 BME  A1462 ( 2.8A)
BME  A1462 (-3.9A)
BME  A1462 ( 4.4A)
NAD  A2001 (-3.5A)
 1.05A 5wqpA-1gegA:
23.2		 5wqpA-1gegA:
27.52
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.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		4 SER A 139
TYR A 193
TRP A 229
MET A 234
 NDP  A 300 (-3.5A)
NDP  A 300 (-4.8A)
None
NDP  A 300 (-3.5A)
 0.69A 5wqpA-1n5dA:
24.7		 5wqpA-1n5dA:
28.77
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		4 SER C  94
GLN C 121
TRP C  72
MET C 102
 None
 1.18A 5wqpA-1odtC:
3.1		 5wqpA-1odtC:
20.80
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.
1sny SNIFFER CG10964-PA

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 SER A 154
TYR A 170
HIS A 199
TRP A 202
MET A 207
 NAP  A 400 (-3.7A)
NAP  A 400 (-4.7A)
NAP  A 400 (-4.5A)
None
NAP  A 400 (-3.5A)
 0.59A 5wqpA-1snyA:
29.3		 5wqpA-1snyA:
29.21
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.
2qf9 PUTATIVE SECRETED
PROTEIN

(Streptomyces
coelicolor) 		PF03713
(DUF305) 		4 SER A  61
MET A  60
TYR A 150
MET A 195
 None
 1.48A 5wqpA-2qf9A:
undetectable		 5wqpA-2qf9A:
22.41
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		4 SER A 146
MET A 160
TYR A 159
MET A 196
 POL  A1256 (-2.6A)
None
POL  A1255 (-3.8A)
NAD  A 500 (-3.7A)
 1.46A 5wqpA-2wsbA:
22.8		 5wqpA-2wsbA:
27.14
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.
3bhi CARBONYL REDUCTASE
[NADPH] 1

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 139
MET A 141
TYR A 193
TRP A 229
MET A 234
 NAP  A 309 ( 3.8A)
None
NAP  A 309 (-4.8A)
None
NAP  A 309 (-3.6A)
 0.62A 5wqpA-3bhiA:
24.9		 5wqpA-3bhiA:
25.86
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.
3d3w L-XYLULOSE REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 SER B 136
GLN B 137
TYR B 149
TRP B 191
MET B 186
 NAP  B1245 ( 3.0A)
PO4  B 245 (-4.0A)
NAP  B1245 (-4.5A)
PO4  B 245 ( 4.3A)
NAP  B1245 ( 3.8A)
 1.29A 5wqpA-3d3wB:
22.5		 5wqpA-3d3wB:
27.91
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		4 GLN A 391
MET A 393
TYR A 381
MET A 271
 MG  A 446 ( 2.7A)
None
None
None
 1.48A 5wqpA-3g5sA:
4.1		 5wqpA-3g5sA:
22.32
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.
3krc GERANYL DIPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Mentha x
piperita) 		PF00348
(polyprenyl_synt) 		4 MET A  49
MET A   8
TYR A   7
MET A   1
 None
 1.47A 5wqpA-3krcA:
undetectable		 5wqpA-3krcA:
24.68
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.
3mlw HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 1006-15D
FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H  39
MET H  89
TYR H  90
MET H  48
 None
 1.46A 5wqpA-3mlwH:
undetectable		 5wqpA-3mlwH:
24.62
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		4 SER A  96
GLN A  97
TYR A 174
HIS A 125
 None
 1.29A 5wqpA-3obiA:
3.1		 5wqpA-3obiA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		4 SER A  90
GLN A  74
TYR A 292
MET A 419
 None
DMS  A 437 ( 3.9A)
None
None
 1.36A 5wqpA-3p1vA:
undetectable		 5wqpA-3p1vA:
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.
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis) 		PF01116
(F_bP_aldolase) 		4 SER A 118
GLN A  89
MET A 114
HIS A 119
 None
 1.25A 5wqpA-3pm6A:
undetectable		 5wqpA-3pm6A:
23.96
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLN A 226
MET A 326
TYR A 325
MET A 317
 None
 1.25A 5wqpA-3popA:
undetectable		 5wqpA-3popA:
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.
3qgk FUSION OF UREASE
BETA AND GAMMA
SUBUNITS
UREASE SUBUNIT BETA
2

(Helicobacter
mustelae;
Helicobacter
mustelae) 		PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 SER A 170
TYR C  12
HIS A 144
MET C   3
 None
 1.25A 5wqpA-3qgkA:
undetectable		 5wqpA-3qgkA:
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 140
GLN A 326
TYR A 138
MET A 275
 None
None
None
MG  A 500 ( 4.9A)
 1.34A 5wqpA-3ugvA:
undetectable		 5wqpA-3ugvA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		4 SER A 177
GLN A 181
TYR A 187
MET A 143
 None
 1.31A 5wqpA-3wufA:
undetectable		 5wqpA-3wufA:
24.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 SER A 159
TYR A 178
HIS A 207
TRP A 210
MET A 215
 EDO  A 301 ( 2.5A)
EDO  A 301 ( 4.3A)
NDP  A 300 ( 4.7A)
None
NDP  A 300 (-3.5A)
 0.52A 5wqpA-3wxbA:
28.2		 5wqpA-3wxbA:
30.66
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 SER A 113
MET A 109
MET A 105
TYR A 108
 ASE  A1350 ( 4.5A)
ASE  A1350 ( 4.8A)
ASE  A1350 (-4.4A)
ASE  A1350 (-4.9A)
 0.91A 5wqpA-4a6eA:
6.7		 5wqpA-4a6eA:
21.21
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.
4d59 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		4 GLN A 338
MET A 371
TYR A 411
TRP A 175
 None
 1.25A 5wqpA-4d59A:
undetectable		 5wqpA-4d59A:
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 MET A 316
MET A 375
TYR A 369
MET A 356
 None
 1.39A 5wqpA-4lxfA:
undetectable		 5wqpA-4lxfA:
19.10
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		4 SER I 310
TYR I 308
HIS I 292
MET I   1
 None
 1.46A 5wqpA-5a5uI:
undetectable		 5wqpA-5a5uI:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		4 SER A 130
MET A 132
TYR A 146
HIS A 173
 None
 0.76A 5wqpA-5idqA:
28.5		 5wqpA-5idqA:
34.85
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		4 SER A 532
GLN A 533
MET A 529
MET A 349
 None
 1.45A 5wqpA-5l44A:
undetectable		 5wqpA-5l44A:
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.
5szd RNA-BINDING PROTEIN
HFQ

(Aquifex
aeolicus) 		PF17209
(Hfq) 		4 SER A  24
GLN A  34
TYR A  26
HIS A  67
 None
 1.16A 5wqpA-5szdA:
undetectable		 5wqpA-5szdA:
16.60
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.
5tvo S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Trypanosoma
brucei;
Trypanosoma
brucei) 		PF01536
(SAM_decarbox)
PF01536
(SAM_decarbox) 		4 SER B  84
MET A 212
TYR A 243
HIS B  68
 None
 1.39A 5wqpA-5tvoB:
undetectable		 5wqpA-5tvoB:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wqn PROBABLE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		6 SER A 135
GLN A 136
MET A 137
MET A 148
TYR A 151
HIS A 180
 None
 0.35A 5wqpA-5wqnA:
38.5		 5wqpA-5wqnA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 SER A 211
TYR A 189
HIS A 209
MET A 287
 LLP  A 318 ( 3.8A)
None
LLP  A 318 (-3.5A)
None
 1.24A 5wqpA-6cczA:
undetectable		 5wqpA-6cczA:
undetectable