Structure of PDB 3a05 Chain A Binding Site BS01

Receptor Information
>3a05 Chain A (length=367) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPWGAVEIKDYDRLLRTFGIRPFSEVLPLLRKAGMEPSFLMRRGIIFGH
RDFDKILEAKARGERVAVLTGFMPSGKFHFGHKLTVDQLIYLQKNGFKVF
VAIADAEAFAVRRIGREEAVRIAVEEYIANMIALGLDPKDTEFYFQTNRG
TPYFRLIQLFSGKVTAAEMEAIYGELTPAKMMASLTQAADILHVQLDEYG
GYRHVVVPVGADQDPHLRLTRDLADRMAGVVELERPASTYHKLQPGLDGR
KMSSSRPDSTIFLTDPPEVARNKLFRALTGGRATAEEQRRLGGVPEVCSV
YHMDLYHLMPDDGEVKHIYTSCRLGKILCGECKQIAWEKLERFLAEHQSR
LEKAKTIAWKLVEPPRF
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain3a05 Chain A Residue 377 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a05 Molecular Recognition of Tryptophan tRNA by Tryptophanyl-tRNA Synthetase from Aeropyrum pernix K1
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G76 Q192 D195
Binding residue
(residue number reindexed from 1)		G71 Q187 D190
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K185 G254 M257
Catalytic site (residue number reindexed from 1) K180 G249 M252
Enzyme Commision number 6.1.1.2: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004830 tryptophan-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:3a05, PDBe:3a05, PDBj:3a05
PDBsum3a05
PubMed
UniProtQ9Y924|SYW_AERPE Tryptophan--tRNA ligase (Gene Name=trpS)

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