Structure of PDB 1h8t Chain A Binding Site BS01
Receptor Information
>1h8t Chain A (length=289) Species:
12078
(Echovirus E11) [
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GDVVEAVENAVARVADTIGSGPSNSQAVPALTAVETGHTSQVTPSDTVQT
RHVKNYHSRSESSIENFLSRSACVYMGEYHTTNSDQTKLFASWTISARRM
VQMRRKLEIFTYVRFDVEVTFVITSKQDQGTQLGQDMPPLTHQIMYIPPG
GPIPKSVTDYTWQTSTNPSIFWTEGNAPPRMSIPFISIGNAYSNFYDGWS
HFSQNGVYGYNTLNHMGQIYVRHVNGSSPLPMTSTVRMYFKPKHVKAWVP
RPPRLCQYKNASTVNFSPTDITDKRNSITYIPDTVKPDV
Ligand information
Ligand ID
DOA
InChI
InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
InChIKey
PBLZLIFKVPJDCO-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)CCCCCCCCCCCN
OpenEye OEToolkits 1.5.0
C(CCCCCC(=O)O)CCCCCN
CACTVS 3.341
NCCCCCCCCCCCC(O)=O
Formula
C12 H25 N O2
Name
12-AMINO-DODECANOIC ACID
ChEMBL
CHEMBL371701
DrugBank
ZINC
ZINC000001845814
PDB chain
1h8t Chain A Residue 1000 [
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Receptor-Ligand Complex Structure
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PDB
1h8t
Determination of the Structure of a Decay Accelerating Factor-Binding Clinical Isolate of Echovirus 11 Allows Mapping of Mutants with Altered Receptor Requirements for Infection
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
I95 Y192 M216
Binding residue
(residue number reindexed from 1)
I95 Y192 M216
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.7.48
: RNA-directed RNA polymerase.
3.4.22.28
: picornain 3C.
3.4.22.29
: picornain 2A.
3.6.1.15
: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0005198
structural molecule activity
View graph for
Molecular Function
External links
PDB
RCSB:1h8t
,
PDBe:1h8t
,
PDBj:1h8t
PDBsum
1h8t
PubMed
12097583
UniProt
Q8JKE8
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