SIMILAR PATTERNS OF AMINO ACIDS FOR 1B2H_A_ACTA518

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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 TYR A 245
ASN A 247
ASN A 366
HIS A 371
TRP A 397
 ACT  A 518 (-4.3A)
ACT  A 518 (-3.3A)
ACT  A 518 (-3.5A)
ACT  A 518 (-4.0A)
ACT  A 518 ( 4.2A)
 0.01A 1b2hA-1b2hA:
67.0
1b2hB-1b2hA:
undetectable		 1b2hA-1b2hA:
100.00
1b2hB-1b2hA:
4.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 TYR A 245
ASN A 247
ASN A 366
HIS A 371
TRP A 397
 None
 0.31A 1b2hA-2z23A:
62.2
1b2hB-2z23A:
undetectable		 1b2hA-2z23A:
79.88
1b2hB-2z23A:
4.29
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 ASN A 483
ASN A 604
HIS A 546
LYS A 586
 None
 0.88A 1b2hA-5jmdA:
0.0
1b2hB-5jmdA:
undetectable		 1b2hA-5jmdA:
21.26
1b2hB-5jmdA:
9.38