Structure of PDB 5t61 Chain X Binding Site BS06

Receptor Information

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

TEVIEGKNITVERTENRRLIFQDCLCAVCGLCGEICPVSAIEVNPTGAMV
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 X Residue 505 [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 P42 C71 V72 L73 C74 G75 C77
Binding residue (residue number reindexed from 1)	L19 C36 P37 C66 V67 L68 C69 G70 C72
Annotation score	4

External links

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

[Back to BioLiP]