Structure of PDB 2poo Chain A Binding Site BS01

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 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		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

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

[Back to BioLiP]