Structure of PDB 5t61 Chain R Binding Site BS05

Receptor Information
>5t61 Chain R (length=341) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIEGKNITVERTNRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMVRTE
QEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKIIKSA
EIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCIYCG
MCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICPVDA
IMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAATVTK
PFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDERFC
IYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK
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 chain5t61 Chain R Residue 405 [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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PDB5t61 The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C125 I130 C239 N241 C242 G243 C245
Binding residue
(residue number reindexed from 1)		C117 I122 C231 N233 C234 G235 C237
Annotation score4
External links