SIMILAR PATTERNS OF AMINO ACIDS FOR 5W7B_A_PA1A206_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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 TYR A1175
GLY A1038
ASN A1039
ARG A1173
 FAD  A1501 (-4.3A)
GOL  A2084 ( 4.5A)
None
FAD  A1501 (-4.0A)
 1.40A 5w7bA-1f20A:
0.0
5w7bC-1f20A:
0.2		 5w7bA-1f20A:
10.89
5w7bC-1f20A:
9.93
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 TYR A 368
GLY A  32
ASN A  33
ARG A 304
 None
 1.46A 5w7bA-1h54A:
0.0
5w7bC-1h54A:
undetectable		 5w7bA-1h54A:
9.47
5w7bC-1h54A:
8.52
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 TYR A 587
GLY A 531
ASN A 535
ARG A 609
 None
 1.14A 5w7bA-1kv9A:
undetectable
5w7bC-1kv9A:
undetectable		 5w7bA-1kv9A:
9.38
5w7bC-1kv9A:
8.15
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 TYR A 651
GLY A 530
ASN A 535
ARG A 609
 None
 1.34A 5w7bA-1kv9A:
undetectable
5w7bC-1kv9A:
undetectable		 5w7bA-1kv9A:
9.38
5w7bC-1kv9A:
8.15
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 TYR A 651
GLY A 531
ASN A 535
ARG A 609
 None
 0.88A 5w7bA-1kv9A:
undetectable
5w7bC-1kv9A:
undetectable		 5w7bA-1kv9A:
9.38
5w7bC-1kv9A:
8.15
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 TYR A 104
GLY A 424
ASN A 422
ARG A 440
 None
 1.14A 5w7bA-1lq2A:
0.0
5w7bC-1lq2A:
2.6		 5w7bA-1lq2A:
7.14
5w7bC-1lq2A:
9.06
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 TYR A1175
GLY A1038
ASN A1039
ARG A1173
 FAD  A1452 (-4.4A)
None
None
FAD  A1452 (-3.9A)
 1.41A 5w7bA-1tllA:
0.0
5w7bC-1tllA:
0.6		 5w7bA-1tllA:
8.83
5w7bC-1tllA:
9.49
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 TYR A 402
GLY A 466
ASN A 463
ARG A 437
 None
 1.42A 5w7bA-1vjsA:
undetectable
5w7bC-1vjsA:
2.2		 5w7bA-1vjsA:
13.60
5w7bC-1vjsA:
9.73
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.
2ock VALACYCLOVIR
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 TYR A 184
GLY A  51
ASN A 123
ARG A  90
 None
 1.33A 5w7bA-2ockA:
undetectable
5w7bC-2ockA:
3.5		 5w7bA-2ockA:
13.93
5w7bC-2ockA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TYR A 754
GLY A 481
ASN A 479
ARG A 781
 None
 1.15A 5w7bA-3fawA:
0.0
5w7bC-3fawA:
0.0		 5w7bA-3fawA:
7.48
5w7bC-3fawA:
7.60
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.
3kg9 CURK

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		4 TYR A1127
GLY A1176
ASN A1181
ARG A1123
 None
 1.46A 5w7bA-3kg9A:
undetectable
5w7bC-3kg9A:
undetectable		 5w7bA-3kg9A:
13.70
5w7bC-3kg9A:
16.54
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		4 TYR A 457
GLY A 342
ASN A 302
ARG A 281
 FRU  A 601 (-4.8A)
None
None
FRU  A 601 (-4.5A)
 1.22A 5w7bA-3vssA:
undetectable
5w7bC-3vssA:
undetectable		 5w7bA-3vssA:
9.57
5w7bC-3vssA:
9.90
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		4 TYR A 467
GLY A 544
ASN A 122
ARG A 299
 None
 1.33A 5w7bA-3w5fA:
0.0
5w7bC-3w5fA:
undetectable		 5w7bA-3w5fA:
7.13
5w7bC-3w5fA:
7.69
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 TYR A 183
GLY A 272
ASN A 306
ARG A 230
 HBA  A 402 (-4.3A)
FMN  A 401 ( 4.0A)
FMN  A 401 (-4.4A)
FMN  A 401 (-3.0A)
 1.11A 5w7bA-4jipA:
undetectable
5w7bC-4jipA:
3.2		 5w7bA-4jipA:
10.17
5w7bC-4jipA:
9.87
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		4 TYR A 444
GLY A 465
ASN A 468
ARG A 478
 None
 1.33A 5w7bA-4wzwA:
0.4
5w7bC-4wzwA:
undetectable		 5w7bA-4wzwA:
10.44
5w7bC-4wzwA:
8.58
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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 4 TYR A  77
GLY A  23
ASN A  22
ARG A  26
 None
 1.46A 5w7bA-5bk6A:
0.0
5w7bC-5bk6A:
2.1		 5w7bA-5bk6A:
22.50
5w7bC-5bk6A:
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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 TYR A   4
GLY A  53
ASN A  52
ARG A  18
 None
 1.29A 5w7bA-5dzvA:
undetectable
5w7bC-5dzvA:
undetectable		 5w7bA-5dzvA:
9.20
5w7bC-5dzvA:
8.60
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.
5onu OUTER MEMBRANE
PROTEIN OMPU

(Vibrio cholerae) 		no annotation 4 TYR A 184
GLY A 211
ASN A 210
ARG A 185
 None
 1.39A 5w7bA-5onuA:
undetectable
5w7bC-5onuA:
undetectable		 5w7bA-5onuA:
17.65
5w7bC-5onuA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w7a ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT
ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT

(Oryctolagus
cuniculus) 		no annotation 4 TYR A  38
GLY B 340
ASN B 372
ARG B 378
 None
FTT  B 609 ( 3.3A)
FTT  B 609 (-3.1A)
PO4  B 607 (-3.3A)
 0.33A 5w7bA-5w7aA:
12.0
5w7bC-5w7aA:
undetectable		 5w7bA-5w7aA:
100.00
5w7bC-5w7aA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ehc OUTER MEMBRANE
PROTEIN U

(Vibrio cholerae) 		no annotation 4 TYR A 154
GLY A 181
ASN A 180
ARG A 155
 None
 1.37A 5w7bA-6ehcA:
undetectable
5w7bC-6ehcA:
undetectable		 5w7bA-6ehcA:
22.22
5w7bC-6ehcA:
22.83