Structure of PDB 8pow Chain L Binding Site BS01

Receptor Information
>8pow Chain L (length=597) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYATQGFNLDDRGRRIVVDPVTRIEGHMRCEVNVDANNVIRNAVSTGTMW
RGLEVILKGRDPRDAWAFVERICGVCTGCHALASVRAVENALDIRIPKNA
HLIREIMAKTLQVHDHAVHFYHLHALDWVDVMSALKADPKRTSELQQLVS
PAHPLSSAGYFRDIQNRLKRFVESGQLGPFMNGYWGSKAYVLPPEANLMA
VTHYLEALDLQKEWVKIHTIFGGKNPHPNYLVGGVPCAINLDGSAPVNME
RLSFVKARIDEIIEFNKNVYVPDVLAIGTLYKQAGWLYGGGLAATNVLDY
GEYPNVAYNKSTDQLPGGAILNGNWDEVFPVDPRDSQQVQEFVSHSWYKY
ADESVGLHPWDGVTEPNYVLGANTKGTRTRIEQIDESAKYSWIKSPRWRG
HAMEVGPLSRYILAYAHARSGNKYAERPKEQLEYSAQMINSAIPKALGLP
ETQYTLKQLLPSTIGRTLARALESQYCGEMMHSDWHDLVANIRAGDTATA
NVDKWDPATWPLQAKGVGTVAAPRGALGHWIRIKDGRIENYQCVVPTTWN
GSPRDYKGQIGAFEASLMNTPMVNPEQPVEILRTLHSFDPCLACSTH
Ligand information
Ligand IDNFV
InChIInChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;;
InChIKeyMPQMGFDSXFFIQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(#N)[Fe](C#N)(C#O)O[Ni]
CACTVS 3.370[Ni]O[Fe](|[C-]#[O+])(C#N)C#N
FormulaC3 Fe N2 Ni O2
NameNI-FE OXIDIZED ACTIVE CENTER
ChEMBL
DrugBank
ZINC
PDB chain8pow Chain L Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pow 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.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		C75 C78 C81 H82 A528 P529 R530 L533 V551 P552 T553 C597 C600
Binding residue
(residue number reindexed from 1)		C73 C76 C79 H80 A522 P523 R524 L527 V545 P546 T547 C591 C594
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8pow, PDBe:8pow, PDBj:8pow
PDBsum8pow
PubMed37860641
UniProtP31891|MBHL_CUPNH Uptake hydrogenase large subunit (Gene Name=hoxG)

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