Structure of PDB 8poz Chain S Binding Site BS04

Receptor Information

>8poz Chain S (length=270) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PRTPVLWLHGLECTCCSESFIRSAHPLAKDVVLSMISLDYDDTLMAAAGH
QAEAILEEIMTKYKGNYILAVEGNPPLNQDGMSCIIGGRPFIEQLKYVAK
DAKAIISWGSCASWGGVQAAKPNPTQATPVHKVITDKPIIKVPGCPPIAE
VMTGVITYMLTFDRIPELDRQGRPKMFYSQRIHDKCYRRPHFDAGQFVEE
WDDESARKGFCLYKMGCKGPTTYNACSTTRWNEGTSFPIQSGHGCIGCSE
DGFWDKGSFYDRLTGISQFG

Ligand information

InChI=1S/4Fe.3S

QQACTBFBZNWJMV-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]
OpenEye OEToolkits 2.0.7	S1[Fe][S]2[Fe]1[S]([Fe]2)[Fe]
CACTVS 3.385	[Fe]S[Fe]S[Fe]S[Fe]

Formula

Fe4 S3

Name

FE4-S3 CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

8poz Chain S Residue 1005 [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	8poz Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	C17 C19 C20 G113 C115 C149
Binding residue (residue number reindexed from 1)	C13 C15 C16 G109 C111 C145
Annotation score	1

External links

PDB	RCSB:8poz, PDBe:8poz, PDBj:8poz
PDBsum	8poz
PubMed	37860641
UniProt	P31892\|MBHS_CUPNH Uptake hydrogenase small subunit (Gene Name=hoxK)

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