Structure of PDB 2poo Chain A Binding Site BS06

Receptor Information
>2poo Chain A (length=353) Species: 1390 (Bacillus amyloliquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLSDPYHFTVNAAAETEPVDTAGDAADDPAIWLDPKNPQNSKLITTNKKS
GLAVYSLEGKMLHSYHTGKLNNVDIRYDFPLNGKKVDIAAASNRSEGKNT
IEIYAIDGKNGTLQSITDPNRPIASAIDEVYGFSLYHSQKTGKYYAMVTG
KEGEFEQYELNADKNGYISGKKVRAFKMNSQTEGMAADDEYGSLYIAEED
EAIWKFSAEPDGGSNGTVIDRADGRHLTPDIEGLTIYYAADGKGYLLASS
QGNSSYAIYERQGQNKYVADFQITDGPETDGTSDTDGIDVLGFGLGPEYP
FGLFVAQDGENIDHGQKANQNFKMVPWERIADKIGFHPQVNKQVDPRKMT
DRS
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 chain2poo Chain A Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2poo Crystal structures of a novel, thermostable phytase in partially and fully calcium-loaded states.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D258 E260 Q279
Binding residue
(residue number reindexed from 1)		D230 E232 Q251
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.8: 3-phytase.
Gene Ontology
Molecular Function
GO:0016158 3-phytase activity
GO:0016787 hydrolase activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2poo, PDBe:2poo, PDBj:2poo
PDBsum2poo
PubMed10655618
UniProtO66037|PHYT_BACSD 3-phytase (Gene Name=phy)

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