Structure of PDB 6hwh Chain A Binding Site BS01

Receptor Information

>6hwh Chain A (length=380) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PTDAELAEMSREELVKLGGKIDGVETIFKEPRWPVPGTKAEKRTERLVAY
WLMLGGLSGLALLLVFLFWPWEYQPFGSEGEFLYSLATPLYGLTFGLSIL
SIGIGAVLFQKKFIPEEISVQDRHDGRSPEVHRKTVAANLTDALEGSTLK
RRKVIGLSLGIGLGAFGAGTLVAFIGGLIKNPWKPVVPTAEGKKAVLWTS
GWTPRFKGETIYLARATGRPGESPFVKMRPEDIDAGGMETVFPWRESDGD
GTTVESEHKLTEIAMGVRNPVMLIRIKPADMHRVIKRKGQESFNFGELFA
YTKVCSHLGCPSSLYEQQTYRILCPCHQSQFDALEFAKPIFGPAARALAQ
LPITIDEDGYLVANGDFVEPVGPAFWERKS

Ligand information

InChI=1S/2Fe.2S

NIXDOXVAJZFRNF-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	[Fe]1S[Fe]S1
CACTVS 3.341 OpenEye OEToolkits 1.5.0	S1[Fe]S[Fe]1

Formula

Fe2 S2

Name

FE2/S2 (INORGANIC) CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

6hwh Chain A Residue 501 [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	6hwh Structure of a functional obligate complex III2IV2respiratory supercomplex from Mycobacterium smegmatis.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	C333 H335 L336 C338 C352 C354 H355
Binding residue (residue number reindexed from 1)	C305 H307 L308 C310 C324 C326 H327
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0051537	2 iron, 2 sulfur cluster binding

	Cellular Component
GO:0005886	plasma membrane

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Molecular Function

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Cellular Component

External links

PDB	RCSB:6hwh, PDBe:6hwh, PDBj:6hwh
PDBsum	6hwh
PubMed	30518849
UniProt	A0R051

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