Structure of PDB 8hrf Chain A Binding Site BS01

Receptor Information
>8hrf Chain A (length=569) Species: 670 (Vibrio parahaemolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APTAPSVDMYGSNNLQFSKIELAMETTSGYYDMVKYHDQAKITVKFNQWS
GTPGDTYNIYFDGVKVATGAITGGQTTATFDYGQGGLYQMEIEACDATGC
SKSAPAEITIADTDGSHLKPLTMNVDPNNKTYNTDPSVVMGTYFVEWGIY
GRNYTVDNMPADNLTHILYGFIPICGPNESVKSVGGNSFNALQTACRGVP
DYEVVIHDPWAAYQKSFPQAGHEYSTPIKGNYAMLMALKQRNPDLKIIPS
IGGWTLSDPFYDFVNKANRDTFVASVKKFLKTWKFYDGVDIDWEFPGGGG
AAADKGDPVNDGPAYVALMRELRAMLDELEAETGRTYELTSAIGVGYDKI
EDVNYADAVQYMDYIFAMTYDFYGGWNNVPGHQTALYCGSFMRPGQCDGS
GVDENGEAYKGPAYTADNGIQLLLAQGVPANKLVLGTAMYGRGWEGVTPD
TLTDPNDPMTGTATGKLKGSTAQGVWEDGVIDYKGIKSFMLGANNTGING
FEYGYDAQAEAPWVWNRTTGELITFDDHRSVLAKGSYAKSLGLAGLFSWE
IDADNGDILNAMHEGMAGG
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 chain8hrf Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hrf Catalytic domain of Vibrio parahaemolyticus chitinase 1
Resolution2.5 Å
Binding residue
(original residue number in PDB)
D369 D373
Binding residue
(residue number reindexed from 1)
D348 D352
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004568 chitinase activity
GO:0008061 chitin binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006032 chitin catabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:8hrf, PDBe:8hrf, PDBj:8hrf
PDBsum8hrf
PubMed
UniProtA0A9Q3UC14

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