Structure of PDB 5t5i Chain F Binding Site BS04

Receptor Information
>5t5i Chain F (length=335) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEVIEGKNITVERTNRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMV
RTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKII
KSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCI
YCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICP
VDAIMQVCRKTPEVTGTSYIDPELCVNCGWCQEICPVDAATVTKPFEGEL
IIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDERFCIYCGAC
ERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK
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 chain5t5i Chain F Residue 404 [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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PDB5t5i The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C31 V33 C34 G35 C37 C81 F83 A85 L86
Binding residue
(residue number reindexed from 1)		C26 V28 C29 G30 C32 C76 F78 A80 L81
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5t5i, PDBe:5t5i, PDBj:5t5i
PDBsum5t5i
PubMed27846502
UniProtO74028

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