Structure of PDB 6z8o Chain B Binding Site BS02

Receptor Information
>6z8o Chain B (length=481) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRTTIAIDPVTRIEGHLKAEVVVENGKVVDARLSGGMYRGFETILRGRDP
RDASQIVQRICGVCPTAHSTASVLALDEAFGAKVPNNGRITRNLIFGANY
LQSHILHFYHLSAQDFVQGPDTAPFVPRFPKSDLRLSKELNKAGVDQYIE
ALEVRRICHEMVALFGGRMPHVQGQVVGGATEIPTKEKLVEYAARFKKVR
DFVEQKYVPVVYTIGSKYKDMFKVGQGFKAALCVGAFPLDNSGKKHLFMP
GVYAKGKDMPFDPSKIKEYVKYSWFAEETTGLNYKEGKTIPAPDKAGAYS
FVKAPRYDGLSLEVGPLARMWVNNPELSPVGKKLLKDLFGISAKKFRDLG
EEAAFSLMGRHVARAEETYYMLGAIEGWLKEIKAGEDTVVMPAVPASAEG
TGFTEAPRGSLLHYVKVKDSKIDNYQIVSASLWNCNPRDDMGQRGAVEEA
LIGIPVDDIQNPVNVARLIRAFDPCLACAVH
Ligand information
Ligand ID6ML
InChIInChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1
InChIKeyDCVJTSMMUVGUAG-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]
CACTVS 3.385S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
FormulaFe4 O2 S4
Nameoxygen-damaged SF4
ChEMBL
DrugBank
ZINC
PDB chain6z8o Chain A Residue 304 [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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PDB6z8o Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R73 H185
Binding residue
(residue number reindexed from 1)		R59 H171
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E28 C75 C78 H82 R422 S445 C489 C492
Catalytic site (residue number reindexed from 1) E14 C61 C64 H68 R408 S431 C475 C478
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:6z8o, PDBe:6z8o, PDBj:6z8o
PDBsum6z8o
PubMed32865640
UniProtQ72AS3

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