Structure of PDB 3qtc Chain A Binding Site BS01

Receptor Information
>3qtc Chain A (length=257) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALTKSQTDRLEVLLNPKDESGKPFRELESELLSRRKKDLQQIYAEEREN
YLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQIFRV
DKNFCLRPMLTPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKEHLEE
FTMLVFWQMGSGCTRENLESIITDFLNHLGIDFKIVGGDTLDVMHGDLEL
SSALVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARSESYY
NGISTNL
Ligand information
Ligand ID0A1
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyGEYBMYRBIABFTA-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341COc1ccc(C[C@H](N)C(O)=O)cc1
ACDLabs 10.04O=C(O)C(N)Cc1ccc(OC)cc1
OpenEye OEToolkits 1.5.0COc1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C[C@@H](C(=O)O)N
CACTVS 3.341COc1ccc(C[CH](N)C(O)=O)cc1
FormulaC10 H13 N O3
NameO-methyl-L-tyrosine
ChEMBL
DrugBank
ZINCZINC000000388371
PDB chain3qtc Chain A Residue 811 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qtc Stereochemical Basis for Engineered Pyrrolysyl-tRNA Synthetase and the Efficient in Vivo Incorporation of Structurally Divergent Non-native Amino Acids.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		T302 W348 S399 G419 A420
Binding residue
(residue number reindexed from 1)		T111 W157 S202 G222 A223
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:3qtc, PDBe:3qtc, PDBj:3qtc
PDBsum3qtc
PubMed21545173
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

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