Structure of PDB 3et5 Chain A Binding Site BS02

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 IDWO4
InChIInChI=1S/4O.W/q;;2*-1;
InChIKeyPBYZMCDFOULPGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-][W](=O)(=O)[O-]
ACDLabs 10.04
CACTVS 3.341		[O-][W]([O-])(=O)=O
FormulaO4 W
NameTUNGSTATE(VI)ION
ChEMBL
DrugBank
ZINC
PDB chain3et5 Chain A Residue 256 [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 L65 D66 T124 N125 K161
Binding residue
(residue number reindexed from 1)		D54 L55 D56 T114 N115 K151
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

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

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