Structure of PDB 6lya Chain A Binding Site BS03

Receptor Information
>6lya Chain A (length=261) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAE
ERENYLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQ
IFRVDKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKE
HLEEFTMLGFQQMGSGCTRENLESIITDFLNHLGIDFKIVGGDTLDVMHG
DLELSSAGVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARS
ESYYNGISTNL
Ligand information
Ligand IDEXL
InChIInChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyZADWXFSZEAPBJS-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
CACTVS 3.385Cn1cc(C[CH](N)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N
FormulaC12 H14 N2 O2
Name1-Methyl-L-tryptophan;
(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
ChEMBLCHEMBL504816
DrugBank
ZINCZINC000000039101
PDB chain6lya 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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PDB6lya Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Resolution1.5907 Å
Binding residue
(original residue number in PDB)		M300 L301 A302 S399 A400 G401 G419 A420 G421
Binding residue
(residue number reindexed from 1)		M113 L114 A115 S206 A207 G208 G226 A227 G228
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:6lya, PDBe:6lya, PDBj:6lya
PDBsum6lya
PubMed32484330
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

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