Structure of PDB 1h6l Chain A Binding Site BS01

Receptor Information
>1h6l 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
FGLFVAQNGENIDHGQKANQNFKMVPWERIADKIGFHPQVNKQVDPRKMT
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 chain1h6l Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h6l Enzyme Mechanism and Catalytic Property of Beta Propeller Phytase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E43 D308 N339 I340 D341
Binding residue
(residue number reindexed from 1)		E15 D280 N311 I312 D313
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:1h6l, PDBe:1h6l, PDBj:1h6l
PDBsum1h6l
PubMed11566134
UniProtO66037|PHYT_BACSD 3-phytase (Gene Name=phy)

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