SIMILAR PATTERNS OF AMINO ACIDS FOR 2AQJ_A_TRPA650

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.
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
 1.28A 2aqjA-1irfA:
0.0		 2aqjA-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
 1.23A 2aqjA-1jp4A:
0.3		 2aqjA-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.
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
 1.36A 2aqjA-3bwnA:
0.0		 2aqjA-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.
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
 1.38A 2aqjA-4ap5A:
0.0		 2aqjA-4ap5A:
20.40
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.
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
 1.34A 2aqjA-4hi0B:
0.0		 2aqjA-4hi0B:
18.76
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
 1.26A 2aqjA-4hymA:
0.0		 2aqjA-4hymA:
20.18
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) 		10 ILE A  52
PRO A  53
ILE A  82
HIS A 109
GLU A 357
TYR A 454
TYR A 455
PHE A 465
TRP A 466
ASN A 470
 None
 0.58A 2aqjA-4lu6A:
54.7		 2aqjA-4lu6A:
53.20
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
 1.36A 2aqjA-4lu6A:
54.7		 2aqjA-4lu6A:
53.20
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) 		7 ILE A  82
HIS A 109
GLU A 357
TYR A 454
PHE A 465
TRP A 466
ASN A 470
 None
 1.28A 2aqjA-4lu6A:
54.7		 2aqjA-4lu6A:
53.20
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.
4mbo SERINE-RICH REPEAT
ADHESION
GLYCOPROTEIN (SRR1)

(Streptococcus
agalactiae) 		PF10425
(SdrG_C_C) 		5 PRO A 531
ILE A 486
HIS A 625
GLU A 496
ASN A 627
 None
None
MLZ  A 601 ( 4.1A)
MLZ  A 601 ( 4.4A)
MLZ  A 601 ( 4.0A)
 1.44A 2aqjA-4mboA:
undetectable		 2aqjA-4mboA:
18.74
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  52
ILE A  82
HIS A 101
GLU A 346
PHE A 454
ASN A 459
 None
 0.71A 2aqjA-4z43A:
59.3		 2aqjA-4z43A:
99.81
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  52
PRO A  53
ILE A  82
HIS A 101
GLU A 346
ASN A 459
 None
 0.60A 2aqjA-4z43A:
59.3		 2aqjA-4z43A:
99.81
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
 0.51A 2aqjA-4z43A:
59.3		 2aqjA-4z43A:
99.81
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.
5isu LMO0135 PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		5 ILE A 176
PRO A 175
ILE A 197
HIS A 179
PHE A 120
 None
 1.47A 2aqjA-5isuA:
1.2		 2aqjA-5isuA:
22.22
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.
5ix3 DIAMINE
N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13302
(Acetyltransf_3) 		5 PRO A  86
ILE A  82
GLU A  16
PHE A  13
ASN A  18
 None
 1.43A 2aqjA-5ix3A:
1.7		 2aqjA-5ix3A:
14.87
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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A  81
ILE A 146
HIS A 150
GLU A 118
GLU A  79
 None
 1.44A 2aqjA-5k8bA:
undetectable		 2aqjA-5k8bA:
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.
5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL

(Bos taurus) 		PF12838
(Fer4_7) 		5 ILE I 165
ILE I 131
GLU I 133
GLU I 164
ASN I 136
 None
SF4  I 202 (-4.8A)
None
None
None
 1.22A 2aqjA-5ldwI:
undetectable		 2aqjA-5ldwI:
16.38
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.
6eu2 DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE K  93
PRO K  94
ILE K  65
GLU K  68
ASN K  99
 None
 1.49A 2aqjA-6eu2K:
1.5		 2aqjA-6eu2K:
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 5 ILE A  57
PRO A  58
ILE A  86
HIS A 100
GLU A 349
 None
 0.42A 2aqjA-6frlA:
43.9		 2aqjA-6frlA:
undetectable