Structure of PDB 3zfs Chain B Binding Site BS03

Receptor Information
>3zfs Chain B (length=215) Species: 145263 (Methanothermobacter marburgensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPRIGYIHLSGCTGDAMSLTENYDILAELLTNMVDIVYGQTLVDLWEMPE
MDLALVEGSVCLQDEHSLHELKELREKAKLVCAFGSCAATGCFTRYSRGG
QQAQPSHESFVPIADLIDVDLALPGCPPSPEIIAKTVVALLNAGYTEACG
CDLQTKVVNQGLCIGCGTCAMACQTRALDMTNGRPELNSDRCIKCGICYV
QCPRSWWPEEQIKKE
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3zfs Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zfs De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy
Resolution4.0 Å
Binding residue
(original residue number in PDB)		G222 C223 G224 T225 C226
Binding residue
(residue number reindexed from 1)		G165 C166 G167 T168 C169
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.98.1: coenzyme F420 hydrogenase.
Gene Ontology
Molecular Function
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050454 coenzyme F420 hydrogenase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:3zfs, PDBe:3zfs, PDBj:3zfs
PDBsum3zfs
PubMed23483797
UniProtD9PYF7

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