Structure of PDB 8ke6 Chain A Binding Site BS03

Receptor Information
>8ke6 Chain A (length=260) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEE
RENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQI
FRVDKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKEH
LEEFTMLGFQQMGSGCTRENLESIITDFLNHLGIDFKIVGGDTLDVMHGD
LELSSAGVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARSE
SYYNGISTNL
Ligand information
Ligand IDFCL
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyJJDJLFDGCUYZMN-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N
ACDLabs 10.04Clc1cc(ccc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Cl)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1cccc(Cl)c1)C(O)=O
CACTVS 3.341N[C@@H](Cc1cccc(Cl)c1)C(O)=O
FormulaC9 H10 Cl N O2
Name3-CHLORO-L-PHENYLALANINE
ChEMBLCHEMBL1232684
DrugBank
ZINCZINC000002572523
PDB chain8ke6 Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ke6 Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids
Resolution1.89571 Å
Binding residue
(original residue number in PDB)		M300 L301 A302 G419 A420 G421
Binding residue
(residue number reindexed from 1)		M112 L113 A114 G225 A226 G227
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8ke6, PDBe:8ke6, PDBj:8ke6
PDBsum8ke6
PubMed37904728
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

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