Structure of PDB 6y1x Chain B Binding Site BS01

Receptor Information
>6y1x Chain B (length=252) Species: 349307 (Methanothrix thermoacetophila PT) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLRRIREHPCFSEKACHAFGRMHLPVAPKCNIQCKYCIRDFDCVNESRPG
VTSRVLTPQEALERVDEVLSKYHYIKVVAVAGPGEPLANEETFETLRLVG
EKYPHLILCISTNGLLLPDRIEDLDRIGVTNITVTLNAVDPTIGEQIYDY
VIYKGERYEGLEAAKILLDNQLKGIEEAVRRKKIVKVNTVLIPGINDKHV
FDIARKIKSMGVFIHNVMPLIPQYKFAHIKPPTPEEKRAIQDELSKIIKQ
MR
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 chain6y1x Chain B 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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PDB6y1x Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H27 C29 H42 E65 A98 C128 T152 K205
Binding residue
(residue number reindexed from 1)		H8 C10 H23 E46 A79 C109 T133 K186
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6y1x, PDBe:6y1x, PDBj:6y1x
PDBsum6y1x
PubMed32476412
UniProtA0B690

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