Structure of PDB 6za1 Chain B Binding Site BS02

Receptor Information
>6za1 Chain B (length=482) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGRTTIAIDPVTRIEGHLKAEVVVENGKVVDARLSGGMYRGFETILRGRD
PRDASQIVQRICGVCPTAHSTASVLALDEAFGAKVPNNGRITRNLIFGAN
YLQSHILHFYHLSAQDFVQGPDTAPFVPRFPKSDLRLSKELNKAGVDQYI
EALEVRRICHEMVALFGGRMPHVQGQVVGGATEIPTKEKLVEYAARFKKV
RDFVEQKYVPVVYTIGSKYKDMFKVGQGFKAALCVGAFPLDNSGKKHLFM
PGVYAKGKDMPFDPSKIKEYVKYSWFAEETTGLNYKEGKTIPAPDKAGAY
SFVKAPRYDGLSLEVGPLARMWVNNPELSPVGKKLLKDLFGISAKKFRDL
GEEAAFSLMGRHVARAEETYYMLGAIEGWLKEIKAGEDTVVMPAVPASAE
GTGFTEAPRGSLLHYVKVKDSKIDNYQIVSASLWNCNPRDDMGQRGAVEE
ALIGIPVDDIQNPVNVARLIRAFDPCLACAVH
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 chain6za1 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6za1 Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		C78 A420 P421 R422 S445 U489 C492
Binding residue
(residue number reindexed from 1)		C65 A407 P408 R409 S432 U476 C479
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) E15 C62 C65 H69 R409 S432 C476 C479
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:6za1, PDBe:6za1, PDBj:6za1
PDBsum6za1
PubMed32865640
UniProtQ72AS3

[Back to BioLiP]