Structure of PDB 5zru Chain A Binding Site BS04

Receptor Information
>5zru Chain A (length=576) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMNLVVYAQRGASMPYTRYDTDDAARGGGATLQSAPNFDQALTASEASGQ
RYIALPSNGSYAQWTIRPGEGGDGVTMRFTMPDSANGMGLNGSLDVYVNG
VKAKTVPLTSYYSWQYFSSDHPADTPAGGRPLFRFDEVHWKMDTPLQPGD
TIRIQKSGADSLEYGVDFLEIEAVPAAIARPANSVSVTDFGAVANDGQDD
LAAFEAAVNAAVTSGKILYIPAGTFHLGNMWKIGSVANKINNITIMGAGI
WHTNIQFTNPNQASGGISFRVTGQLDFSHIYMNSNLRSRYGEQAVYKGFM
DNFGTNSKVHNVWVEHFECGFWVGDYAHTPAIIANGLVIENSRIRNNLAD
GVNFAQGTSNSTVRNSSIRNNGDDGLAVWTSNVNGAPAGVNNTFSYNTIE
NNWRAAGIAFFGGSGHKATHNLIVDTVGGSAIRMNTVFPGYHFQNNTGIV
FSDTTIINSGTSRDLYNGERGAIDLEASNDPIKNVTFTNIDIINTQRSAI
QFGYGGGFENIVFNNININGAGKDGVLTSRFSSPHPGAAIYTYTGNGSAT
FNNLTTNDIAHPNLYFIQNGFNLTIQ
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 chain5zru Chain A Residue 607 [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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PDB5zru Crystal structure of the catalytic unit of GH 87-type alpha-1,3-glucanase Agl-KA from Bacillus circulans.
Resolution1.833 Å
Binding residue
(original residue number in PDB)		S112 W113
Binding residue
(residue number reindexed from 1)		S113 W114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links