Structure of PDB 3ocu Chain A Binding Site BS01

Receptor Information
>3ocu Chain A (length=247) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEHANMQLQQQAVLGLNWMQDSGEYKALAYQAYNAAKVAFDHAKVAKGKK
KAVVADLNETMLDNSPYAGWQVQNNKPFDGKDWTRWVDARQSRAVPGAVE
FNNYVNSHNGKVFYVTNRKDSTEKSGTIDDMKRLGFNGVEESAFYLKKDK
SAKAARFAEIEKQGYEIVLYVGDNLDDFGNTVYGKLNADRRAFVDQNQGK
FGKTFIMLPNANYGGWEGGLAEGYFKKDTQGQIKARLDAVQAWDGKL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ocu Chain A Residue 263 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ocu Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D64 N66 D181
Binding residue
(residue number reindexed from 1)		D56 N58 D173
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane

View graph for
Cellular Component
External links
PDB RCSB:3ocu, PDBe:3ocu, PDBj:3ocu
PDBsum3ocu
PubMed20934434
UniProtP26093|HEL_HAEIN Lipoprotein E (Gene Name=hel)

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