Structure of PDB 5t61 Chain j Binding Site BS06

Receptor Information

>5t61 Chain j (length=344) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTEVIEGKNITVERTNRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMV
RTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKII
KSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCI
YCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICP
VDAIMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAAT
VTKPFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDE
RFCIYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK

Ligand information

InChI=1S/4Fe.4S

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 j Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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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)	C41 C71 L73 C74 G75 C77
Binding residue (residue number reindexed from 1)	C36 C66 L68 C69 G70 C72
Annotation score	4

External links

PDB	RCSB:5t61, PDBe:5t61, PDBj:5t61
PDBsum	5t61
PubMed	27846502

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