SIMILAR PATTERNS OF AMINO ACIDS FOR 6C79_A_CE3A301_2

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 235
ASP A 240
 None
 0.59A 6c79A-2wyxA:
47.7		 6c79A-2wyxA:
98.72
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 CYH A  72
PRO A 170
THR A 238
ASP A 242
 None
None
SO4  A 301 (-3.9A)
None
 0.45A 6c79A-3bydA:
47.6		 6c79A-3bydA:
26.29
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.80A 6c79A-3dwzA:
41.5		 6c79A-3dwzA:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		4 CYH A  46
PRO A 144
THR A 212
ASP A 216
 None
 0.34A 6c79A-5e2eA:
44.5		 6c79A-5e2eA:
48.24
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.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		4 CYH A  57
PRO A 156
THR A 226
ASP A 230
 None
None
None
EDO  A 304 (-3.7A)
 0.47A 6c79A-5vpqA:
41.5		 6c79A-5vpqA:
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.
6ch9 BG18 HEAVY CHAIN

(Homo sapiens) 		no annotation 4 CYH Q 157
PRO Q 136
THR Q 182
ASP Q 225
 None
 1.48A 6c79A-6ch9Q:
0.0		 6c79A-6ch9Q:
22.09
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 CYH 0 618
PRO 0 444
THR 0 615
ASP 0 624
 None
 1.40A 6c79A-6ct00:
0.0		 6c79A-6ct00:
17.44