Structure of PDB 4cs3 Chain A Binding Site BS03

Receptor Information

>4cs3 Chain A (length=270) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEE
RENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQI
FRVDKNFCLRPMLAPNLANYLRKLDRALPDPIKIFEIGPCYRKESDGKEH
LEEFTMLNFCQMGSGCTRENLESIITDFLNHLGIDFKIVGDSCMVFGDTL
DVMHGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIK
RAARSESYYNGISTNLHHHH

Ligand information

Ligand ID

FU0

InChI

InChI=1S/C7H8O4/c8-7(9)11-5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H,8,9)

InChIKey

SFUJACCQACPZEZ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC(=O)OCCc1occc1
OpenEye OEToolkits 1.7.6	c1cc(oc1)CCOC(=O)O
ACDLabs 12.01	O=C(OCCc1occc1)O

Formula

C7 H8 O4

Name

2-(furan-2-yl)ethyl hydrogen carbonate

PDB chain

4cs3 Chain A Residue 1461 [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	4cs3 Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Resolution	1.499 Å
Binding residue (original residue number in PDB)	I413 W417
Binding residue (residue number reindexed from 1)	I225 W229
Annotation score	1

Enzymatic activity

Enzyme Commision number

6.1.1.26: pyrrolysine--tRNA(Pyl) ligase.

Gene Ontology

	Molecular Function
GO:0000049	tRNA binding
GO:0004812	aminoacyl-tRNA ligase activity
GO:0005524	ATP binding

	Biological Process
GO:0043039	tRNA aminoacylation

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:4cs3, PDBe:4cs3, PDBj:4cs3
PDBsum	4cs3
PubMed	24737732
UniProt	Q8PWY1\|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

[Back to BioLiP]