SIMILAR PATTERNS OF AMINO ACIDS FOR 5AIN_E_QMRE1207_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 159
ILE A 207
VAL A 149
TYR A 213
CYH A 215
 None
 1.09A 5ainA-3juxA:
0.0
5ainE-3juxA:
0.0		 5ainA-3juxA:
14.75
5ainE-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 VAL A 139
ILE A   6
TYR A  41
VAL A 130
TYR A  34
 None
 0.92A 5ainA-3pl1A:
0.0
5ainE-3pl1A:
0.0		 5ainA-3pl1A:
21.30
5ainE-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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 VAL A 166
MET A 170
TYR A 248
VAL A 191
CYH A 308
 None
None
None
None
GST  A 511 (-3.4A)
 1.27A 5ainA-3v1vA:
undetectable
5ainE-3v1vA:
undetectable		 5ainA-3v1vA:
17.01
5ainE-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 VAL A 187
ILE A 123
TYR A 119
VAL A 178
TYR A 163
 None
 1.48A 5ainA-4gvlA:
0.0
5ainE-4gvlA:
0.0		 5ainA-4gvlA:
17.35
5ainE-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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 5 ILE A 380
VAL A 346
TYR A 168
CYH A 251
TYR A 347
 None
 1.35A 5ainA-5cozA:
0.0
5ainE-5cozA:
0.0		 5ainA-5cozA:
21.19
5ainE-5cozA:
21.19
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 547
MET A 586
ILE A 424
VAL A 435
TYR A 370
 None
 1.01A 5ainA-5lewA:
0.0
5ainE-5lewA:
0.0		 5ainA-5lewA:
13.12
5ainE-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 150
VAL B 108
TYR B 140
CYH B 141
CYH B 138
 None
None
None
ZN  B   1 (-2.2A)
ZN  B   1 (-2.3A)
 1.40A 5ainA-9atcB:
0.0
5ainE-9atcB:
0.0		 5ainA-9atcB:
21.40
5ainE-9atcB:
21.40