Structure of PDB 3ze6 Chain B Binding Site BS02

Receptor Information
>3ze6 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
LIGIPVDDIQNPVNVARLIRAFDPULGCAVH
Ligand information
Ligand IDFSX
InChIInChI=1S/4Fe.H2O.2O.3S/h;;;;1H2;;;;;/q;;;+1;;;;;;/p-1
InChIKeyBIOGFUMNBIDAOG-UHFFFAOYSA-M
SMILES
SoftwareSMILES
CACTVS 3.385O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2
OpenEye OEToolkits 2.0.7[O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5
FormulaFe4 O3 S3
NameBIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II);
FE4-S3-O3 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3ze6 Chain A Residue 287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ze6 The Three-Dimensional Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough: A Hydrogenase without a Bridging Ligand in the Active Site in its Oxidised, "as-Isolated" State.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R73 H185
Binding residue
(residue number reindexed from 1)		R59 H171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E28 C75 C78 H82 R422 S445 U489 C492
Catalytic site (residue number reindexed from 1) E14 C61 C64 H68 R408 S431 U475 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:3ze6, PDBe:3ze6, PDBj:3ze6
PDBsum3ze6
PubMed
UniProtQ72AS3

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