SIMILAR PATTERNS OF AMINO ACIDS FOR 6D6T_D_FYPD406

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.
1nkz LIGHT-HARVESTING
PROTEIN B-800/850,
ALPHA CHAIN
LIGHT-HARVESTING
PROTEIN B-800/850,
BETA CHAIN

(Rhodoblastus
acidophilus;
Rhodoblastus
acidophilus) 		PF00556
(LHC)
PF00556
(LHC) 		5 HIS A  31
THR B  37
TYR A  44
PHE A  41
THR A  38
 BCL  B 302 (-3.2A)
RG1  A 404 (-3.8A)
RG1  A 404 ( 3.8A)
BCL  A 301 (-4.0A)
None
 1.32A 6d6tD-1nkzA:
undetectable
6d6tE-1nkzA:
undetectable		 6d6tD-1nkzA:
9.04
6d6tE-1nkzA:
11.07
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.
1wxm A-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF02196
(RBD) 		5 SER A  29
ASP A  64
TYR A  31
ALA A  62
THR A  61
 None
 1.28A 6d6tD-1wxmA:
undetectable
6d6tE-1wxmA:
undetectable		 6d6tD-1wxmA:
12.04
6d6tE-1wxmA:
15.00
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.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 HIS A  74
ASP A 137
TYR A 118
ALA A 140
THR A 143
 None
 1.43A 6d6tD-3rwgA:
2.3
6d6tE-3rwgA:
2.4		 6d6tD-3rwgA:
19.21
6d6tE-3rwgA:
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.
3w2x EXODEOXYRIBONUCLEASE

(Methanothermobacter
thermautotrophicus) 		PF03372
(Exo_endo_phos) 		5 TYR A 129
ASP A 160
PHE A 152
ALA A 155
THR A 154
 None
 1.01A 6d6tD-3w2xA:
undetectable
6d6tE-3w2xA:
undetectable		 6d6tD-3w2xA:
21.53
6d6tE-3w2xA:
22.80
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.
4qlo HOMOSERINE
O-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		5 HIS A 296
SER A 161
THR A 160
TYR A 163
PHE A 167
 None
 1.41A 6d6tD-4qloA:
undetectable
6d6tE-4qloA:
undetectable		 6d6tD-4qloA:
23.57
6d6tE-4qloA:
19.72
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 TYR A 319
SER A 129
THR A 130
TYR A 133
ALA A 297
 None
 1.31A 6d6tD-4rkmA:
2.4
6d6tE-4rkmA:
3.5		 6d6tD-4rkmA:
19.42
6d6tE-4rkmA:
17.09
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.
4u6b CONSERVED
HYPOTHETICAL
LIPOPROTEIN

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		5 SER A 389
THR A 378
ASP A 104
ALA A 352
THR A 351
 None
None
PEG  A 503 (-3.2A)
CA  A 502 ( 4.8A)
None
 1.47A 6d6tD-4u6bA:
0.0
6d6tE-4u6bA:
undetectable		 6d6tD-4u6bA:
23.94
6d6tE-4u6bA:
19.01
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.
5a9d SOLUTE CARRIER
FAMILY 15 MEMBER 1

(Mus musculus) 		no annotation 5 HIS A 459
SER A 517
TYR A 508
ASP A 574
ALA A 554
 GOL  A1582 (-3.9A)
None
None
None
None
 1.28A 6d6tD-5a9dA:
undetectable
6d6tE-5a9dA:
undetectable		 6d6tD-5a9dA:
20.33
6d6tE-5a9dA:
17.91
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.
5kn7 LIPID A BIOSYNTHESIS
LAUROYL
ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF03279
(Lip_A_acyltrans) 		5 TYR B 294
THR B 194
TYR B 281
TYR B 204
PHE B 284
 None
None
GOL  B 414 (-4.6A)
None
None
 1.42A 6d6tD-5kn7B:
undetectable
6d6tE-5kn7B:
undetectable		 6d6tD-5kn7B:
21.57
6d6tE-5kn7B:
18.66
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 TYR A  10
THR A 583
PHE A  24
ALA A  20
THR A  21
 None
 1.32A 6d6tD-5kvuA:
2.0
6d6tE-5kvuA:
0.0		 6d6tD-5kvuA:
19.89
6d6tE-5kvuA:
17.04
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 TYR A 186
SER A 132
THR A 131
TYR A 351
ALA A  71
 None
None
None
FMN  A 401 ( 4.0A)
None
 1.43A 6d6tD-5lgxA:
0.6
6d6tE-5lgxA:
0.6		 6d6tD-5lgxA:
22.41
6d6tE-5lgxA:
17.53
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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 285
SER A 325
SER A 336
THR A 337
TYR A 186
 None
NDP  A 502 (-4.5A)
None
None
NDP  A 502 (-4.7A)
 1.25A 6d6tD-5vohA:
undetectable
6d6tE-5vohA:
undetectable		 6d6tD-5vohA:
20.70
6d6tE-5vohA:
20.15
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.
6d6t HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2

(Homo sapiens) 		no annotation 5 ASP E  56
TYR E  58
PHE E  77
ALA E  79
THR E 142
 None
 0.00A 6d6tD-6d6tE:
28.1
6d6tE-6d6tE:
36.5		 6d6tD-6d6tE:
undetectable
6d6tE-6d6tE:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 HIS B 102
TYR B 160
SER B 206
THR B 207
TYR B 210
 None
 0.66A 6d6tD-6d6uB:
37.4
6d6tE-6d6uB:
27.9		 6d6tD-6d6uB:
undetectable
6d6tE-6d6uB:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 5 ASP E  56
TYR E  58
PHE E  77
ALA E  79
THR E 142
 None
 0.31A 6d6tD-6d6uE:
29.6
6d6tE-6d6uE:
31.1		 6d6tD-6d6uE:
undetectable
6d6tE-6d6uE:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		7 TYR A 157
SER A 201
THR A 202
TYR A 205
ASP B  44
PHE B  65
THR B 130
 ABU  A 405 (-4.4A)
None
ABU  A 405 (-3.1A)
ABU  A 405 (-3.0A)
None
ABU  A 405 (-4.6A)
ABU  A 405 (-3.1A)
 0.67A 6d6tD-6d6uA:
33.9
6d6tE-6d6uA:
27.2		 6d6tD-6d6uA:
undetectable
6d6tE-6d6uA:
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.
6dw1


(;
) 		no annotation
no annotation 		8 HIS C 101
TYR C 159
SER C 204
THR C 206
TYR D  58
PHE D  77
ALA D  79
THR D 142
 None
 0.74A 6d6tD-6dw1C:
30.1
6d6tE-6dw1C:
25.7		 6d6tD-6dw1C:
undetectable
6d6tE-6dw1C:
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.
6dw1


(;
) 		no annotation
no annotation 		8 HIS C 101
TYR C 159
SER C 205
TYR C 209
TYR D  58
PHE D  77
ALA D  79
THR D 142
 None
 0.62A 6d6tD-6dw1C:
30.1
6d6tE-6dw1C:
25.7		 6d6tD-6dw1C:
undetectable
6d6tE-6dw1C:
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.
6dw1


(;
) 		no annotation
no annotation 		8 HIS C 101
TYR C 159
THR C 206
TYR C 209
TYR D  58
PHE D  77
ALA D  79
THR D 142
 None
 0.45A 6d6tD-6dw1C:
30.1
6d6tE-6dw1C:
25.7		 6d6tD-6dw1C:
undetectable
6d6tE-6dw1C:
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.
6dw1


(;
) 		no annotation
no annotation 		5 SER C 204
THR C 206
TYR D  58
PHE D  77
THR D 142
 None
 1.48A 6d6tD-6dw1C:
30.1
6d6tE-6dw1C:
25.7		 6d6tD-6dw1C:
undetectable
6d6tE-6dw1C:
undetectable