SIMILAR PATTERNS OF AMINO ACIDS FOR 5AIN_A_QMRA1207_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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 VAL A 149
TYR A 213
CYH A 215
VAL A 159
ILE A 207
 None
 1.12A 5ainA-3juxA:
0.0
5ainB-3juxA:
0.0		 5ainA-3juxA:
14.75
5ainB-3juxA:
14.75
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 TYR A  41
VAL A 130
TYR A  34
VAL A 139
ILE A   6
 None
 0.94A 5ainA-3pl1A:
0.0
5ainB-3pl1A:
0.0		 5ainA-3pl1A:
21.30
5ainB-3pl1A:
21.30
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 TYR A 140
TYR A  50
CYH A  52
VAL A 104
ILE A 133
 None
 1.31A 5ainA-3tr4A:
undetectable
5ainB-3tr4A:
0.0		 5ainA-3tr4A:
24.79
5ainB-3tr4A:
24.79
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 TYR A 248
VAL A 191
CYH A 308
VAL A 166
MET A 170
 None
None
GST  A 511 (-3.4A)
None
None
 1.31A 5ainA-3v1vA:
undetectable
5ainB-3v1vA:
undetectable		 5ainA-3v1vA:
17.01
5ainB-3v1vA:
17.01
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 TYR A 119
VAL A 178
TYR A 163
VAL A 187
ILE A 123
 None
 1.45A 5ainA-4gvlA:
0.0
5ainB-4gvlA:
0.0		 5ainA-4gvlA:
17.35
5ainB-4gvlA:
17.35
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 435
TYR A 370
VAL A 547
MET A 586
ILE A 424
 None
 1.09A 5ainA-5lewA:
0.0
5ainB-5lewA:
0.0		 5ainA-5lewA:
13.12
5ainB-5lewA:
13.12
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.
9atc ASPARTATE
TRANSCARBAMOYLASE

(Escherichia
coli) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		5 VAL B 108
TYR B 140
CYH B 141
CYH B 138
VAL B 150
 None
None
ZN  B   1 (-2.2A)
ZN  B   1 (-2.3A)
None
 1.46A 5ainA-9atcB:
0.0
5ainB-9atcB:
0.0		 5ainA-9atcB:
21.40
5ainB-9atcB:
21.40