SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDX_C_CHDC301_0

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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		5 HIS A 269
TRP A 323
MET A 332
TYR A 339
TRP C 106
 PC1  C 301 ( 4.2A)
None
None
PC1  C 301 (-3.3A)
PC1  C 301 (-4.4A)
 0.64A 5xdxA-1qleA:
54.3
5xdxC-1qleA:
2.7
5xdxP-1qleA:
0.9		 5xdxA-1qleA:
53.19
5xdxC-1qleA:
19.01
5xdxP-1qleA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		6 HIS A 233
TRP A 288
MET A 297
ASP A 300
THR A 301
TYR A 304
 None
 0.32A 5xdxA-2eijA:
66.4
5xdxC-2eijA:
2.4
5xdxP-2eijA:
2.3		 5xdxA-2eijA:
100.00
5xdxC-2eijA:
20.81
5xdxP-2eijA:
20.81
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		5 HIS A 147
MET A 325
ASP A 316
THR A 315
TYR A 318
 None
 1.25A 5xdxA-3qbwA:
0.0
5xdxC-3qbwA:
0.2
5xdxP-3qbwA:
0.2		 5xdxA-3qbwA:
21.43
5xdxC-3qbwA:
21.58
5xdxP-3qbwA:
21.58