Structure of PDB 5t61 Chain X Binding Site BS08
Receptor Information
>5t61 Chain X (length=344) Species:
145261
(Methanothermobacter wolfeii) [
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TEVIEGKNITVERTENRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMV
RTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKII
KSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCI
YCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICP
VDAIMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAAT
VTKPFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDE
RFCIYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK
Ligand information
Ligand ID
SF4
InChI
InChI=1S/4Fe.4S
InChIKey
LJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385
S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
Formula
Fe4 S4
Name
IRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
5t61 Chain X Residue 507 [
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Receptor-Ligand Complex Structure
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PDB
5t61
The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Resolution
2.55 Å
Binding residue
(original residue number in PDB)
C125 P126 I130 C239 V240 N241 C242 G243 C245
Binding residue
(residue number reindexed from 1)
C120 P121 I125 C234 V235 N236 C237 G238 C240
Annotation score
4
External links
PDB
RCSB:5t61
,
PDBe:5t61
,
PDBj:5t61
PDBsum
5t61
PubMed
27846502
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