Structure of PDB 1urx Chain A Binding Site BS09

Receptor Information
>1urx Chain A (length=268) Species: 63186 (Zobellia galactanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDWNGIPVPANPGNGMTWQLQDNVSDSFNYTSSEGNRPTAFTSKWKPSYI
NGWTGPGSTIFNAPQAWTNGSQLAIQAQPAGNGKSYNGIITSKNKIQYPV
YMEIKAKIMDQVLANAFWTLTDDETQSIDIMEGYGSDRGGTWFAQRMHLS
HHTFIRNPFTDYQPMGDATWYYNGGTPWRSAYHRYGCYWKDPFTLEYYID
GVKVRTVTRAEIDPNNHLGGTGLNQATNIIIDCENQTDWRPAATQEELAD
DSKNIFWVDWIRVYKPVA
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 chain1urx Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1urx Parallel Substrate Binding Sites in a Beta-Agarase Suggest a Novel Mode of Action on Double-Helical Agarose
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D22 S47 N49 S91 D279
Binding residue
(residue number reindexed from 1)		D2 S27 N29 S71 D259
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.81: beta-agarase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0033916 beta-agarase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1urx, PDBe:1urx, PDBj:1urx
PDBsum1urx
PubMed15062085
UniProtG0L322|AGAA_ZOBGA Beta-agarase A (Gene Name=agaA)

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