Structure of PDB 6n2n Chain B Binding Site BS01

Receptor Information
>6n2n Chain B (length=291) Species: 156889 (Magnetococcus marinus MC-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVEAFHKMENMKPKDYKSEVPTTWCPGCGHFGILNGVYRAMAELGIDSTK
FAAISGIGCSSRMPYFVDSYKMHTLHGRAGAVATGTQVARPDLCVVVAGG
DGDGFSIGGGHMPHMARKNVNMTYVLMDNGIYGLTKGQYSPTSRPEMTAY
TTPYGGPENPMNPLLYMLTYGATYVAQAFAGKPKDCAELIKGAMEHEGFA
YVNIFSQCPTFNKIDTVDFYRDLVEPIPEDHDTSDLGAAMELARRPGGKA
PTGLLYKTSAPTLDQNLAKIRERLGGHVGYDKNKIIALAKP
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 chain6n2n Chain B Residue 401 [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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PDB6n2n A reverse TCA cycle 2-oxoacid:ferredoxin oxidoreductase that makes C-C bonds from CO2.
Resolution1.937 Å
Binding residue
(original residue number in PDB)		W25 C26 C29 H31 C60 C209 T211 F212
Binding residue
(residue number reindexed from 1)		W24 C25 C28 H30 C59 C208 T210 F211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6n2n, PDBe:6n2n, PDBj:6n2n
PDBsum6n2n
PubMed31080943
UniProtA0L8G5

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