Structure of PDB 5t61 Chain F Binding Site BS03

Receptor Information

>5t61 Chain F (length=345) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTEVIEGKNITVERTGNRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAM
VRTEQEKSKIAIDENKCVLCGMCSSICPFQALDLQIDGTSIKELAEYPKI
IKSAEIDDETCIQCKACETACPQDAITITRELPERKDLVTGEIEIDKDTC
IYCGMCEEMCPVDAIEIDHQTPSSASPVVATDIRVDEDKCVHCGICKRIC
PVDAIMQVCRICPYGEYEIKTPEVTGTSYIDPELCVNCGWCQEICPVDAA
TVTKPFEGELIIDQDTCQACETCVMVCPCNVLSFPKPEKPGEKTTKLHKD
ERFCIYCGACERSCPVTAITVKRNRINTTPIRSKAWKNAFDSLLK

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 F Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

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)	L24 C41 V43 I46 C71 V72 L73 C74 G75 C77
Binding residue (residue number reindexed from 1)	L20 C37 V39 I42 C67 V68 L69 C70 G71 C73
Annotation score	4

External links

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

[Back to BioLiP]