Structure of PDB 8ke5 Chain A Binding Site BS03

Receptor Information
>8ke5 Chain A (length=259) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEE
RENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQI
FRVDKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKEH
LEEFTMLGFQQMGSGCTRENLESIITDFLNHLGIDFKIVGDTLDVMHGDL
ELSSAGVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARSES
YYNGISTNL
Ligand information
Ligand IDFXL
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-/m1/s1
InChIKeyJJDJLFDGCUYZMN-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)C[C@H](C(=O)O)N
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CC(C(=O)O)N
CACTVS 3.385N[C@H](Cc1cccc(Cl)c1)C(O)=O
CACTVS 3.385N[CH](Cc1cccc(Cl)c1)C(O)=O
FormulaC9 H10 Cl N O2
Name(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid
ChEMBL
DrugBank
ZINCZINC000002382502
PDB chain8ke5 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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PDB8ke5 Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids
Resolution1.90007 Å
Binding residue
(original residue number in PDB)		L301 A302 M344 F347 Q348 G419 A420 G421
Binding residue
(residue number reindexed from 1)		L113 A114 M156 F159 Q160 G224 A225 G226
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:8ke5, PDBe:8ke5, PDBj:8ke5
PDBsum8ke5
PubMed37904728
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

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