SIMILAR PATTERNS OF AMINO ACIDS FOR 2OA1_A_TRPA2003

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.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		5 PRO A 269
ILE A 265
TYR A 272
GLU A 252
ASN A 280
 None
 1.33A 2oa1B-1jp4A:
1.2		 2oa1B-1jp4A:
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.
2f5g TRANSPOSASE,
PUTATIVE

(Sulfolobus
solfataricus) 		PF01797
(Y1_Tnp) 		5 PRO A  68
GLU A  45
TYR A  75
TYR A  71
PHE A  80
 None
 1.40A 2oa1B-2f5gA:
3.6		 2oa1B-2f5gA:
14.14
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.
3bwn L-TRYPTOPHAN
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF04864
(Alliinase_C) 		5 ILE A 218
ILE A  77
HIS A  81
PHE A 280
ASN A  86
 None
 1.37A 2oa1B-3bwnA:
0.8		 2oa1B-3bwnA:
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.
3ga3 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1, MDA5

(Homo sapiens) 		PF11648
(RIG-I_C-RD) 		5 ILE A1008
PRO A 900
ILE A 984
HIS A 928
PHE A1010
 None
 1.46A 2oa1B-3ga3A:
undetectable		 2oa1B-3ga3A:
13.18
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		5 ILE B 439
PRO B 431
ILE B 437
HIS B 471
TYR B 380
 None
 1.26A 2oa1B-3nvnB:
0.0		 2oa1B-3nvnB:
20.73
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.
3on9 TUMOUR NECROSIS
FACTOR RECEPTOR

(Ectromelia
virus) 		PF07190
(DUF1406) 		5 ILE A 166
PRO A 206
HIS A 266
PHE A 163
GLU A 268
 None
 1.49A 2oa1B-3on9A:
undetectable		 2oa1B-3on9A:
15.41
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 ILE A 267
PRO A 268
ILE A 399
GLU A 396
TRP A 373
 None
 1.37A 2oa1B-4ap5A:
1.0		 2oa1B-4ap5A:
23.23
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.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		5 ILE A 263
ILE A  46
PHE A  59
TYR A 256
PHE A 168
 None
 1.04A 2oa1B-4b6gA:
1.4		 2oa1B-4b6gA:
18.51
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ILE A 270
PRO A 271
HIS A  33
GLU A  37
PHE A 328
 None
 1.25A 2oa1B-4hymA:
1.1		 2oa1B-4hymA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		11 ILE A  52
PRO A  53
ILE A  82
HIS A 109
PHE A 111
GLU A 357
TYR A 454
TYR A 455
PHE A 465
TRP A 466
ASN A 470
 None
 0.43A 2oa1B-4lu6A:
62.2		 2oa1B-4lu6A:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		7 ILE A  52
ILE A  82
HIS A 101
PHE A 103
GLU A 346
PHE A 454
ASN A 459
 None
 0.85A 2oa1B-4z43A:
52.7		 2oa1B-4z43A:
53.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		7 ILE A  52
PRO A  53
ILE A  82
HIS A 101
PHE A 103
GLU A 346
ASN A 459
 None
 0.72A 2oa1B-4z43A:
52.7		 2oa1B-4z43A:
53.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		6 ILE A  82
HIS A 101
GLU A 346
PHE A 454
TRP A 455
ASN A 459
 None
 0.59A 2oa1B-4z43A:
52.7		 2oa1B-4z43A:
53.02
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.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Flavobacterium
psychrophilum) 		PF10459
(Peptidase_S46) 		5 PRO A 276
ILE A 545
PHE A 373
TYR A 377
ASN A 540
 None
 1.45A 2oa1B-5jxfA:
undetectable		 2oa1B-5jxfA:
21.64
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		5 PRO A 386
PHE A  23
GLU A 260
PHE A 382
TRP A 378
 None
 1.48A 2oa1B-5l94A:
undetectable		 2oa1B-5l94A:
20.55
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.
6b9s METHYLPHOSPHONATE
SYNTHASE

(Nitrosopumilus
maritimus) 		no annotation 5 HIS A 148
TYR A 108
TYR A 110
PHE A 192
ASN A 145
 FE  A 501 (-3.7A)
None
None
None
FE  A 501 ( 4.9A)
 1.50A 2oa1B-6b9sA:
undetectable		 2oa1B-6b9sA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 6 ILE A  57
PRO A  58
ILE A  86
HIS A 100
PHE A 102
GLU A 349
 None
 0.38A 2oa1B-6frlA:
43.3		 2oa1B-6frlA:
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ILE A 103
PRO A 104
ILE A 123
GLU A 200
PHE A 232
 None
 1.23A 2oa1B-6g43A:
0.2		 2oa1B-6g43A:
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ILE A 103
PRO A 104
ILE A 123
GLU A 200
PHE A 232
 None
 1.25A 2oa1B-6g45A:
0.9		 2oa1B-6g45A:
undetectable