Structure of PDB 5t61 Chain v Binding Site BS08

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

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 v Residue 507 [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)	C125 I130 C239 V240 N241 C242 G243 C245
Binding residue (residue number reindexed from 1)	C122 I127 C236 V237 N238 C239 G240 C242
Annotation score	4

External links

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

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