Structure of PDB 1qlg Chain A Binding Site BS01

Receptor Information
>1qlg 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 chain1qlg Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qlg Crystal Structures of a Novel, Thermostable Phytase in Partially and Fully Calcium-Loaded States
Resolution2.2 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:1qlg, PDBe:1qlg, PDBj:1qlg
PDBsum1qlg
PubMed10655618
UniProtO66037|PHYT_BACSD 3-phytase (Gene Name=phy)

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