Structure of PDB 5jsu Chain B Binding Site BS02

Receptor Information
>5jsu 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
ALIGIPVDDIQNPVNVARLIRAFDPDLGCAVH
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 chain5jsu 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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PDB5jsu The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		R73 H185
Binding residue
(residue number reindexed from 1)		R60 H172
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E28 C75 C78 H82 R422 S445 D489 C492
Catalytic site (residue number reindexed from 1) E15 C62 C65 H69 R409 S432 D476 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:5jsu, PDBe:5jsu, PDBj:5jsu
PDBsum5jsu
PubMed28319099
UniProtQ72AS3

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