Structure of PDB 6qgr Chain G Binding Site BS04

Receptor Information

>6qgr Chain G (length=253) Species: 1434108 (Methanosarcina barkeri MS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TNKIKIGHVHMSGCTGCLVSLADNNLGLIKILDDYADLVYCLTLADVRHI
PEMDVALVEGSVCLQDHESVEDIKETRKKSKIVVALGSCACYGNITRFSR
GGQHNQPQHESYLPIGDLIDVDVYIPGCPPSPELIRNVAVMAYLLLEGNE
EQKELAGKYLKPLMDLAKRGTSGCFCDLMYDVINQGLCMGCGTCAASCPV
HAITLEFGKPQGERDLCIKCGSCYGACPRSFFNLDVISEFENISEIIAKA
LKD

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

6qgr Chain G Residue 304 [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	6qgr X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Resolution	1.839 Å
Binding residue (original residue number in PDB)	C191 C193 R231
Binding residue (residue number reindexed from 1)	C174 C176 R214
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.12.98.1: coenzyme F420 hydrogenase.

Gene Ontology

	Molecular Function
GO:0016151	nickel cation binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0050454	coenzyme F420 hydrogenase activity
GO:0050660	flavin adenine dinucleotide binding
GO:0051536	iron-sulfur cluster binding
GO:0051537	2 iron, 2 sulfur cluster binding
GO:0051539	4 iron, 4 sulfur cluster binding

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Molecular Function

External links

PDB	RCSB:6qgr, PDBe:6qgr, PDBj:6qgr
PDBsum	6qgr
PubMed	31591784
UniProt	A0A0E3LP72

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