Structure of PDB 5t61 Chain d Binding Site BS09

Receptor Information

>5t61 Chain d (length=340) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IEGKNITVERTNRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMVRTEQ
EKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKIIKSAE
IDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTCIYCGM
CEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRICPVDAI
MQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAATVTKP
FEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKDERFCI
YCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK

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 d Residue 409 [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)	I147 C164 P165 V166 C194 V195 H196 C197 G198 C200
Binding residue (residue number reindexed from 1)	I138 C155 P156 V157 C185 V186 H187 C188 G189 C191
Annotation score	4

External links

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

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