Structure of PDB 3et5 Chain A Binding Site BS01

Receptor Information
>3et5 Chain A (length=244) Species: 281310 (Haemophilus influenzae 86-028NP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QANMQLQQQAVLGLNWMQDSGEYKALAYQAYNAAKVAFDHAKVAKGKKKA
VVADLDETMLDNSPYAGWQVQNNKPFDGKDWTRWVDARQSRAVPGAVEFN
NYVNSHKGKVFYVTNRKDSSEKAGTIDDMKRLGFNGVEESAFYLKKDKSA
KAARFAEIEKQGYEIVLYVGDNLDDFGNTVYGKLNADRRAFVDQNQGKFG
KTFIMLPNANYGGWEGGLAEGYFKKDTQGQIKARLDAVQAWDGK
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 chain3et5 Chain A Residue 255 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3et5 Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase Reveals a New Member of the Haloacid Dehalogenase Superfamily.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D64 D66 D181
Binding residue
(residue number reindexed from 1)		D54 D56 D171
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3et5, PDBe:3et5, PDBj:3et5
PDBsum3et5
PubMed17824671
UniProtQ4QMM5

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