Structure of PDB 4cs4 Chain A Binding Site BS04

Receptor Information

>4cs4 Chain A (length=268) Species: 2209 (Methanosarcina mazei)

ALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEE
RENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQI
FRVDKNFCLRPMLAPNLANYLRKLDRALPDPIKIFEIGPCYRKESDGKEH
LEEFTMLNFCQMGSGCTRENLESIITDFLNHLGIDFKIVGDSCMVFGDTL
DVMHGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIK
RAARSESYYNGISTNLHH

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4cs4 Chain A Residue 1481

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cs4 Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
• Resolution: 1.349 Å
• Binding residue (original residue number in PDB): R310 K311 R314
• Binding residue (residue number reindexed from 1): R122 K123 R126
• 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

External links

• PDB: RCSB:4cs4, PDBe:4cs4, PDBj:4cs4
• PDBsum: 4cs4
• PubMed: 24737732
• UniProt: Q8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)