SIMILAR PATTERNS OF AMINO ACIDS FOR 2WB9_A_CYSA301_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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 GLY A  96
ARG A  84
TYR A 371
TYR A 372
 None
 1.40A 2wb9A-1cemA:
2.6		 2wb9A-1cemA:
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.
1h14 ENDO-1,4-BETA-XYLANA
SE

(Pseudoalteromonas
haloplanktis) 		PF01270
(Glyco_hydro_8) 		4 GLY A  79
ARG A  76
TYR A 380
TYR A 381
 None
 1.24A 2wb9A-1h14A:
3.3		 2wb9A-1h14A:
19.84
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.
1wk4 TTK003001606

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		4 GLY A 138
ARG A 137
TYR A 165
TYR A 140
 None
 1.44A 2wb9A-1wk4A:
0.0		 2wb9A-1wk4A:
22.90
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		4 GLY A 210
ARG A 211
TYR A 274
TYR A 272
 None
 1.00A 2wb9A-2drhA:
0.0		 2wb9A-2drhA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw1 CATROCOLLASTATIN

(Crotalus atrox) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 TYR A 559
GLY A 536
ARG A 557
TYR A 534
 None
 1.29A 2wb9A-2dw1A:
0.0		 2wb9A-2dw1A:
16.90
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		4 TYR A 286
GLY A 260
TYR A  86
TYR A 264
 None
 1.12A 2wb9A-2gfiA:
0.0		 2wb9A-2gfiA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qi2 CELL DIVISION
PROTEIN PELOTA
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		4 GLY A 162
ARG A 163
TYR A 172
TYR A 177
 None
 1.36A 2wb9A-2qi2A:
0.4		 2wb9A-2qi2A:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS

(Fasciola
hepatica) 		PF14497
(GST_C_3) 		5 TYR A  10
GLY A  15
ARG A  16
TYR A 106
TYR A 110
 DMS  A1214 ( 4.3A)
DMS  A1214 (-3.0A)
GDS  A 300 ( 4.1A)
None
GDS  A 300 (-4.6A)
 0.17A 2wb9A-2wduA:
36.4		 2wb9A-2wduA:
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.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 TYR A 371
GLY A 348
ARG A 369
TYR A 346
 None
 1.32A 2wb9A-3dslA:
0.0		 2wb9A-3dslA:
16.86
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.
3dxi PUTATIVE ALDOLASE

(Bacteroides
vulgatus) 		PF00682
(HMGL-like) 		4 TYR A 271
GLY A 223
TYR A  14
TYR A  13
 None
 0.99A 2wb9A-3dxiA:
undetectable		 2wb9A-3dxiA:
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.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		4 TYR A 241
GLY A 189
ARG A 188
TYR A 205
 None
 1.08A 2wb9A-3pbiA:
undetectable		 2wb9A-3pbiA:
22.69
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.
3rsj BONT/F

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR A 900
GLY A 908
TYR A 910
TYR A1059
 None
 1.18A 2wb9A-3rsjA:
undetectable		 2wb9A-3rsjA:
17.39
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.
3uet ALPHA-1,3/4-FUCOSIDA
SE

(Bifidobacterium
longum) 		PF01120
(Alpha_L_fucos) 		4 TYR A 192
GLY A 208
ARG A 234
TYR A 278
 None
 1.01A 2wb9A-3uetA:
undetectable		 2wb9A-3uetA:
17.78
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.
4ec6 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		no annotation 4 GLY A 222
ARG A 223
TYR A 282
TYR A 268
 None
 1.41A 2wb9A-4ec6A:
undetectable		 2wb9A-4ec6A:
24.44
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		4 GLY A 372
ARG A 474
TYR A 508
TYR A 504
 None
 1.46A 2wb9A-4ecnA:
undetectable		 2wb9A-4ecnA:
12.46
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 TYR A 187
ARG A 347
TYR A 349
TYR A 329
 SAH  A 501 ( 4.1A)
OPE  A 502 (-3.9A)
OPE  A 502 (-4.7A)
OPE  A 502 (-4.5A)
 1.48A 2wb9A-4ineA:
undetectable		 2wb9A-4ineA:
16.23
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.
4uf7 GLYCOPROTEIN

(Ghanaian bat
henipavirus) 		PF00423
(HN) 		4 TYR A 602
GLY A 221
ARG A 599
TYR A 223
 None
None
SO4  A1618 (-3.8A)
None
 1.11A 2wb9A-4uf7A:
undetectable		 2wb9A-4uf7A:
20.19
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		4 GLY B 100
ARG B  99
TYR B 120
TYR B 102
 None
 1.50A 2wb9A-5ir6B:
1.9		 2wb9A-5ir6B:
21.68
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 GLY A1105
ARG A1109
TYR A 950
TYR A 952
 None
 1.48A 2wb9A-5tuyA:
undetectable		 2wb9A-5tuyA:
18.55
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 GLY A1193
ARG A1197
TYR A1038
TYR A1040
 None
 1.46A 2wb9A-5vsdA:
undetectable		 2wb9A-5vsdA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 GLY B 651
ARG B 652
TYR B 413
TYR B 667
 None
 1.34A 2wb9A-6btmB:
undetectable		 2wb9A-6btmB:
undetectable