Structure of PDB 5why Chain B Binding Site BS03

Receptor Information

>5why Chain B (length=421) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MAMIHKFSMMGTNIVVDVNSGAVHVVDDISFDILDYYKNFTAGEIKNKLA
HKYNADEIDEALREIESLEAEGLLFSEDPKSVVKALCLHISHDCNLRCKY
CFASRNMMSLEVGKKAIDFLISESGNRKNLEIDFFGGEPMMNFDVVKGII
EYARQKEKEHNKNFRFTLTTNGLLLNDENIKYINENMQNIVLSIDGRKEV
NDRMRIRIDGSGCYDDILPKFKYVAESRNQDNYYVRGTFTRENMDFSNDV
LHLADEGFRQISVEPVVAAKDSGYDLREEDLPRLFEEYEKLAYEYVKRRK
EGNWFNFFHFMIDLTGCGSGHEYLAVTPEGDIYPCHQFVGNEKFKMGNVK
EGVLNRDIQNYFKNSNVYTKKECDSCWAKFYCSGGCAANSYNFHKDINTV
YKVGCELEKKRVECALWIKAQ

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2

Formula

Fe4 S4

Name

IRON/SULFUR CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

5why Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5why Structural Insights into Thioether Bond Formation in the Biosynthesis of Sactipeptides.
Resolution	2.692 Å
Binding residue (original residue number in PDB)	C400 C403 C409 V427 C432
Binding residue (residue number reindexed from 1)	C373 C376 C382 V400 C405
Annotation score	4

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
PDBsum	5why
PubMed	28704043
UniProt	A3DDW1

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