Structure of PDB 8a8o Chain D Binding Site BS01

Receptor Information
>8a8o Chain D (length=102) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIRIIEEICIGCGLCTKVCPGNLLYQREDGKSEIMDKRDCWDCAACVKEC
PVNAIEMYLQPEIGGRGSTLKAKKTDDSIVWIITDNNGEEEVIEVKNKKT
FD
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 chain8a8o Chain D Residue 902 [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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PDB8a8o How a methanogen assimilates sulfate: Structural and functional elucidation of the complete sulfate-reduction pathway.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		I3 C20 P21 C41 W42 D43 C44 A45 C47
Binding residue
(residue number reindexed from 1)		I2 C19 P20 C40 W41 D42 C43 A44 C46
Annotation score4
External links