Structure of PDB 5t61 Chain X Binding Site BS01

Receptor Information
>5t61 Chain X (length=344) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEVIEGKNITVERTENRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMV
RTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKII
KSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCI
YCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICP
VDAIMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAAT
VTKPFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDE
RFCIYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK
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 409 [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)		C213 C216
Binding residue
(residue number reindexed from 1)		C208 C211
Annotation score4
External links