Structure of PDB 5why Chain A Binding Site BS05

Receptor Information
>5why Chain A (length=418) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAMIHKFSMMGTNIVVDVNSGAVHVVDDISFDILDYYKNFTAGEIKNKLA
HKYNADEIDEALREIESLEAEGLLFSESVVKALCLHISHDCNLRCKYCFA
STQRNMMSLEVGKKAIDFLISESGNRKNLEIDFFGGEPMMNFDVVKGIIE
YARQKEKEHNKNFRFTLTTNGLLLNDENIKYINENMQNIVLSIDGRKEVN
DRMRIRIDGSGCYDDILPKFKYVAESRNQDNYYVRGTFTRENMDFSNDVL
HLADEGFRQISVEPVVAAKDSGYDLREEDLPRLFEEYEKLAYEYVKRRKE
GNWFNFFHFMITGCGSGHEYLAVTPEGDIYPCHQFVGNEKFKMGNVKEGV
LNRDIQNYFKNSNVYTKKECDSCWAKFYCSGGCAANSYNFHKDINTVYKV
GCELEKKRVECALWIKAQ
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 chain5why Chain A Residue 505 [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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PDB5why Structural Insights into Thioether Bond Formation in the Biosynthesis of Sactipeptides.
Resolution2.692 Å
Binding residue
(original residue number in PDB)		E174 N180
Binding residue
(residue number reindexed from 1)		E156 N162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5why, PDBe:5why, PDBj:5why
PDBsum5why
PubMed28704043
UniProtA3DDW1

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