Structure of PDB 4ch5 Chain A Binding Site BS02

Receptor Information

>4ch5 Chain A (length=263) Species: 192952 (Methanosarcina mazei Go1)

PALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAE
ERENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQ
IFRVDKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKE
HLEEFTMLNFCQMGSGCTRENLESIITDFLNHLGIDFKIVGDYGDTLDVM
HGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAA
RSESYYNGISTNL

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 4ch5 Chain A Residue 1461

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ch5 Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R330 H338 E396 R426
• Binding residue (residue number reindexed from 1): R143 H151 E205 R235
• Annotation score: 5

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:4ch5, PDBe:4ch5, PDBj:4ch5
• PDBsum: 4ch5
• PubMed: 24760130
• UniProt: Q8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)