Structure of PDB 6ncr Chain A Binding Site BS01

Receptor Information
>6ncr Chain A (length=342) Species: 272561 (Chlamydia trachomatis D/UW-3/CX) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKRVLTGDRPTGKLHLGHWIGSIMNRLQLQNDSRYDCFFIIADLHTLTT
KTRKEEILQIDNHIYDVLADWLSVGIDPEKSAIYLQSAIPEIYELNLIFS
MLTPLNHIMGIPSIKEMARNASLNEESLSHGLIGYPVLQSADILLAKAHL
VPVGKDNEAHVELTRDIAKTFNRLYGEVFPEPDILQGELTALVGTNGQGK
MSKSANNAIYLSDDAKTVQEKIRKLYTDPNRIHATTPGRVEGNPLFIYHD
LFNPHKEEVEEFKTRYRQGCIRDVEVKARLAEEINLFLNPFREKRSELVA
QPKFLEEALQQGTEKMRTVARETMEEVHDHLGLSRKWRTILA
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 chain6ncr Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ncr Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan
Resolution1.75 Å
Binding residue
(original residue number in PDB)		L7 D10 R11 H47 Y136 Q140 D143
Binding residue
(residue number reindexed from 1)		L6 D9 R10 H46 Y135 Q139 D142
Annotation score5
Enzymatic activity
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:6ncr, PDBe:6ncr, PDBj:6ncr
PDBsum6ncr
PubMed
UniProtO84589|SYW_CHLTR Tryptophan--tRNA ligase (Gene Name=trpS)

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