Structure of PDB 3amr Chain A Binding Site BS02

Receptor Information
>3amr Chain A (length=352) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSDPYHFTVNAAAETEPVDTAGDAADDPAIWLDPKTPQNSKLITTNKKSG
LVVYSLDGKMLHSYNTGKLNNVDIRYDFPLNGKKVDIAAASNRSEGKNTI
EIYAIDGKNGTLQSMTDPDHPIATAINEVYGFTLYHSQKTGKYYAMVTGK
EGEFEQYELKADKNGYISGKKVRAFKMNSQTEGMAADDEYGRLYIAEEDE
AIWKFSAEPDGGSNGTVIDRADGRHLTRDIEGLTIYYAADGKGYLMASSQ
GNSSYAIYDRQGKNKYVADFRITDGPETDGTSDTDGIDVLGFGLGPEYPF
GIFVAQDGENIDHGQKANQNFKIVPWERIADQIGFRPLANEQVDPRKLTD
RS
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 chain3amr Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3amr Crystal structures of Bacillus alkaline phytase in complex with divalent metal ions and inositol hexasulfate
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E15 D280 N311 I312 D313
Binding residue
(residue number reindexed from 1)		E14 D279 N310 I311 D312
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:3amr, PDBe:3amr, PDBj:3amr
PDBsum3amr
PubMed21463636
UniProtO31097|PHYC_BACIU 3-phytase (Gene Name=phyC)

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