Structure of PDB 5t61 Chain v Binding Site BS03

Receptor Information
>5t61 Chain v (length=346) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTEVIEGKNITVERTENRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGA
MVRTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPK
IIKSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDT
CIYCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRI
CPVDAIMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDA
ATVTKPFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHK
DERFCIYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK
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 v Residue 502 [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)		I147 C164 P165 I169 C194 H196 C197 G198 C200
Binding residue
(residue number reindexed from 1)		I144 C161 P162 I166 C191 H193 C194 G195 C197
Annotation score4
External links