Structure of PDB 2w1q Chain A Binding Site BS01

Receptor Information
>2w1q Chain A (length=140) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPSLIRSESWQVYEGNEANLLDGDDNTGVWYKTLNGDTSLAGEFIGLDLG
KEIKLDGIRFVIGKNGGGSSDKWNKFKLEYSLDNESWTTIKEYDKTGAPA
GKDVIEESFETPISAKYIRLTNMENINKWLTFSEFAIVSD
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 chain2w1q Chain A Residue 1947 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2w1q N-Acetylglucosamine Recognition by a Family 32 Carbohydrate-Binding Module from Clostridium Perfringens Nagh.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N825 D828 D830 T833 S939 E940
Binding residue
(residue number reindexed from 1)		N19 D22 D24 T27 S133 E134
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.35: hyaluronoglucosaminidase.
External links
PDB RCSB:2w1q, PDBe:2w1q, PDBj:2w1q
PDBsum2w1q
PubMed19422833
UniProtP26831|NAGH_CLOPE Hyaluronoglucosaminidase (Gene Name=nagH)

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