Structure of PDB 3sz3 Chain A Binding Site BS01

Receptor Information
>3sz3 Chain A (length=341) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMSKPIVLSGVQPSGELSIGNYLGALRQWQQMQDDYDCQYCVVDLHAI
TVRQDPQALHEATLDALAICLAVGVDPKKSTLFVQSHVPEHAQLGWVLNC
YTQMGELSRMTQFKDKSARYANDVNAGLFGYPVLMAADILLYGAHQVPVG
SDQKQHLELARDIATRFNNIYSPEQPIFTIPEPYIPTVNARVMSLQDATK
KMSKSDDNRKNVITLLEDPKSIIKKINKAQTDAETPPRIAYDVENKAGIA
NLMGLYSAATGKTFAEIEAQYAGVEMYGPFKKDVGEAVVAMLEPVQAEYQ
RIRNDREYLNSVMRDGAEKASAKALQTLKKVYAAVGFVARP
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 chain3sz3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3sz3 Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L7 G9 Q11 V42 H45 M132 D135 V144 Q150
Binding residue
(residue number reindexed from 1)		L10 G12 Q14 V45 H48 M135 D138 V147 Q153
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K113 K198 K201
Catalytic site (residue number reindexed from 1) K116 K201 K204
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
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3sz3, PDBe:3sz3, PDBj:3sz3
PDBsum3sz3
PubMed
UniProtQ9KNV7|SYW_VIBCH Tryptophan--tRNA ligase (Gene Name=trpS)

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