SIMILAR PATTERNS OF AMINO ACIDS FOR 2JKC_A_TRPA1520_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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 188
PRO A 118
ILE A 330
TYR A 123
ASN A 515
 None
None
PHE  A 566 (-4.6A)
None
None
 1.42A 2jkcA-1amuA:
1.1		 2jkcA-1amuA:
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.
1irf INTERFERON
REGULATORY FACTOR-2

(Mus musculus) 		PF00605
(IRF) 		5 ILE A  36
PRO A  37
ILE A  16
PHE A  81
TRP A  58
 None
 1.25A 2jkcA-1irfA:
undetectable		 2jkcA-1irfA:
12.10
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.
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
 1.35A 2jkcA-1jp4A:
0.0		 2jkcA-1jp4A:
18.92
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.
1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT

(Pseudomonas
putida) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ILE A 222
HIS A 221
TYR A 328
GLU A 330
ASN A 215
 None
FE  A 501 (-3.4A)
None
None
FE  A 501 ( 4.4A)
 1.49A 2jkcA-1z01A:
1.3		 2jkcA-1z01A:
22.95
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 187
ILE A 193
HIS A 465
TYR A 185
ASN A 462
 None
None
CU  A 701 (-3.2A)
None
CU  A 701 ( 4.9A)
 1.22A 2jkcA-3aw5A:
0.0		 2jkcA-3aw5A:
21.95
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.
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 2jkcA-3bwnA:
0.0		 2jkcA-3bwnA:
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		5 ILE B 439
PRO B 431
ILE B 437
HIS B 471
TYR B 380
 None
 1.36A 2jkcA-3nvnB:
undetectable		 2jkcA-3nvnB:
23.04
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ILE A 106
PRO A 107
ILE A 289
PHE A 555
ASN A 270
 None
None
None
None
GOL  A1010 ( 4.0A)
 1.37A 2jkcA-3welA:
0.0		 2jkcA-3welA:
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.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 ILE A 118
HIS A 254
TYR A 174
GLU A 111
ASN A 177
 None
JHZ  A 504 (-3.9A)
None
SAH  A 503 ( 4.8A)
SAH  A 503 ( 3.9A)
 1.46A 2jkcA-4e2zA:
0.0		 2jkcA-4e2zA:
24.30
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.
4hi0 UREASE ACCESSORY
PROTEIN UREH

(Helicobacter
pylori) 		PF01774
(UreD) 		5 ILE B 115
PRO B 116
ILE B 141
HIS B 196
GLU B 151
 None
 1.28A 2jkcA-4hi0B:
0.7		 2jkcA-4hi0B:
19.89
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) 		9 ILE A  52
PRO A  53
ILE A  82
HIS A 109
TYR A 454
TYR A 455
PHE A 465
TRP A 466
ASN A 470
 None
 0.61A 2jkcA-4lu6A:
53.9		 2jkcA-4lu6A:
53.02
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) 		5 ILE A  52
PRO A  53
TYR A 455
PHE A 465
ASN A 467
 None
 1.38A 2jkcA-4lu6A:
53.9		 2jkcA-4lu6A:
53.02
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) 		5 ILE A  82
HIS A 109
TYR A 454
PHE A 465
TRP A 466
 None
 1.38A 2jkcA-4lu6A:
53.9		 2jkcA-4lu6A:
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) 		5 ILE A  52
ILE A  82
HIS A 101
PHE A 454
ASN A 459
 None
 0.70A 2jkcA-4z43A:
59.3		 2jkcA-4z43A:
99.63
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) 		5 ILE A  52
PRO A  53
ILE A  82
HIS A 101
ASN A 459
 None
 0.59A 2jkcA-4z43A:
59.3		 2jkcA-4z43A:
99.63
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) 		5 ILE A  82
HIS A 101
PHE A 454
TRP A 455
ASN A 459
 None
 0.53A 2jkcA-4z43A:
59.3		 2jkcA-4z43A:
99.63
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 ILE A 118
HIS A 254
TYR A 174
GLU A 111
ASN A 177
 None
JHZ  A 503 (-3.8A)
None
SAH  A 502 ( 4.8A)
SAH  A 502 ( 3.7A)
 1.45A 2jkcA-5t67A:
4.0		 2jkcA-5t67A:
21.59