Structure of PDB 3zwu Chain A Binding Site BS04

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 IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain3zwu Chain A Residue 1594 [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)		E90 C179 E194 E273 D292 E387
Binding residue
(residue number reindexed from 1)		E82 C171 E186 E265 D284 E379
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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