Structure of PDB 5why Chain A Binding Site BS02

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 IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5why Chain A Residue 502 [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)		C104 L106 C108 C111 G154 N188 R222
Binding residue
(residue number reindexed from 1)		C91 L93 C95 C98 G136 N170 R204
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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