Structure of PDB 6pv4 Chain B Binding Site BS01

Receptor Information
>6pv4 Chain B (length=607) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FYEIYPKPQEISYSGGEFQISDEINIVYDDGIDTYTKKRVDEVLEASNLE
ATVSNEIVPGKTNFLVGINESGGVVDNYFNKNIPHDESFFDEKMDANIVS
VKDGVIGVIAEDTDSAFYGVTTLKHVFNQLEEGNEIKNFRADDYAEVAHR
GFIEGYYGNPWSNEDRAELMKFGGDYKLNQYVFAPKDDPYHNSKWRDLYP
EEKLSEIKKLAQMGNETKNRYVYALHPFMNNPVRFDTEENYQNDLGVIKA
KFTQLLENDVRQFAILADDASAPAQGASMYVKLLTDLTRWLEEQQSTYPD
LKTDLMFCPSDYYGNGSSAQLKELNKAEDNVSIVMTGGRIWGEVDENFAN
NFMNNISTEGHPGRAPFFWINWPCSDNSKQHLIMGGNDTFLHPGVDPSKI
DGIVLNPMQQAEANKSALFAIADYAWNIWDNKEEADENWNDSFKYMDHGT
AEETNSSLALREISKHMINQNMDGRVRPLQESVELAPKLEAFKQKYIKED
ALELIEEFTNLQKAAEYYKNNPGNERTRDQIIYWLNCWEDTMDAAIGYLK
SAIEEGDDEAAWANYSEAQSAFEKSKTYGFHYVDHTEYAEVGVQHIVPFI
KSMGQNL
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 chain6pv4 Chain B Residue 701 [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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PDB6pv4 Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N106 N117 H122 E124
Binding residue
(residue number reindexed from 1)		N69 N80 H85 E87
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.35: hyaluronoglucosaminidase.
External links