Structure of PDB 3zwu Chain A Binding Site BS02

Receptor Information
>3zwu Chain A (length=580) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLLGFDSIPAATTDTISLPKGYKSSVLISWGQPLHKNGPAFDPSGNGTAA
AQEVQFGDNNDGMSLFEFPGEKNRALMAINNEYTNYRYLYPHGGMPQSAE
DVRKALACEGVSVIEVQRKNGQWQFVQGSRYNRRIHGNSPLRISGPAAGH
ELMKTSADKHGKKVLGTFQNCANGKTPWGTYLTCEENFTDCFGSSNAQQQ
FDPAQKRYGVSAASREINWHPFDPRFDMAKNPNELNRHGWVVEIDPFDPQ
STPVKRTALGRFKHENAALAETDDGRAVVYMGDDERGEFIYKFVSRDKIN
HRNAKANRDILDHGTLYVARFDAGDGNPDHPKGQGQWIELTHGKNGIDAS
SGFADQAEVLIHARLAASVVGATRMDRPEWIVVSPKDGQVYCTLTNNAKR
GEDGQPVGGPNPREKNVYGQILRWRTDRDDHASKTFAWDLFVVAGNPSVH
AGTPKGGSSNITPQNMFNSPDGLGFDKAGRLWILTDGDSSNAGDFAGMGN
NQMLCADPATGEIRRFMVGPIGCEVTGISFSPDQKTLFVGIQHPGENGGS
TFPEHLPNGKPRSSVMAITREDGGIVGAHH
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3zwu Chain A Residue 1592 [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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PDB3zwu A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Resolution1.39 Å
Binding residue
(original residue number in PDB)		E387 D479 D494
Binding residue
(residue number reindexed from 1)		E379 D471 D486
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3zwu, PDBe:3zwu, PDBj:3zwu
PDBsum3zwu
PubMed25190793
UniProtQ3K5N8

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