Structure of PDB 4alf Chain B Binding Site BS04

Receptor Information
>4alf Chain B (length=581) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLLGFDSIPAATTDTISLPKGYKSSVLISWGQPLHKNGPAFDPSGNGTA
AAQEVQFGDNNDGMSLFEFPGEKNRALMAINNEYTNYRYLYPHGGMPQSA
EDVRKALACEGVSVIEVQRKNGQWQFVQGSRYNRRIHGNSPLRISGPAAG
HELMKTSADKHGKKVLGTFQNCANGKTPWGTYLTCEENFTDCFGSSNAQQ
QFDPAQKRYGVSAASREINWHPFDPRFDMAKNPNELNRHGWVVEIDPFDP
QSTPVKRTALGRFKHENAALAETDDGRAVVYMGDDERGEFIYKFVSRDKI
NHRNAKANRDILDHGTLYVARFDAGDGNPDHPKGQGQWIELTHGKNGIDA
SSGFADQAEVLIHARLAASVVGATRMDRPEWIVVSPKDGQVYCTLTNNAK
RGEDGQPVGGPNPREKNVYGQILRWRTDRDDHASKTFAWDLFVVAGNPSV
HAGTPKGGSSNITPQNMFNSPDGLGFDKAGRLWILTDGDSSNAGDFAGMG
NNQMLCADPATGEIRRFMVGPIGCEVTGISFSPDQKTLFVGIQHPGENGG
STFPEHLPNGKPRSSVMAITREDGGIVGAHH
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 chain4alf Chain B Residue 1592 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4alf A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Resolution1.25 Å
Binding residue
(original residue number in PDB)		D494 E532
Binding residue
(residue number reindexed from 1)		D487 E525
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:4alf, PDBe:4alf, PDBj:4alf
PDBsum4alf
PubMed25190793
UniProtQ3K5N8

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