Structure of PDB 6z8j Chain B Binding Site BS03

Receptor Information
>6z8j Chain B (length=484) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GATGRTTIAIDPVTRIEGHLKAEVVVENGKVVDARLSGGMYRGFETILRG
RDPRDASQIVQRICGVCPTAHSTASVLALDEAFGAKVPNNGRITRNLIFG
ANYLQSHILHFYHLSAQDFVQGPDTAPFVPRFPKSDLRLSKELNKAGVDQ
YIEALEVRRICHEMVALFGGRMPHVQGQVVGGATEIPTKEKLVEYAARFK
KVRDFVEQKYVPVVYTIGSKYKDMFKVGQGFKAALCVGAFPLDNSGKKHL
FMPGVYAKGKDMPFDPSKIKEYVKYSWFAEETTGLNYKEGKTIPAPDKAG
AYSFVKAPRYDGLSLEVGPLARMWVNNPELSPVGKKLLKDLFGISAKKFR
DLGEEAAFSLMGRHVARAEETYYMLGAIEGWLKEIKAGEDTVVMPAVPAS
AEGTGFTEAPRGSLLHYVKVKDSKIDNYQIVSASLWNCNPRDDMGQRGAV
EEALIGIPVDDIQNPVNVARLIRAFDPCLGCAVH
Ligand information
Ligand IDFCO
InChIInChI=1S/2CN.CO.Fe/c3*1-2;
InChIKeyVBQUCMTXYFMTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](=C=O)C#N
ACDLabs 10.04N#C\[Fe](C#N)=C=O
CACTVS 3.341O=C=[Fe](C#N)C#N
FormulaC3 Fe N2 O
NameCARBONMONOXIDE-(DICYANO) IRON
ChEMBL
DrugBank
ZINC
PDB chain6z8j Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6z8j Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
Resolution1.09 Å
Binding residue
(original residue number in PDB)		C78 A420 P421 R422 L425 A444 S445 U489 C492
Binding residue
(residue number reindexed from 1)		C67 A409 P410 R411 L414 A433 S434 U478 C481
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E28 C75 C78 H82 R422 S445 C489 C492
Catalytic site (residue number reindexed from 1) E17 C64 C67 H71 R411 S434 C478 C481
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6z8j, PDBe:6z8j, PDBj:6z8j
PDBsum6z8j
PubMed32865640
UniProtQ72AS3

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