Structure of PDB 3amr Chain A Binding Site BS04

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 903 [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)		D200 D230
Binding residue
(residue number reindexed from 1)		D199 D229
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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