Structure of PDB 2a4m Chain C Binding Site BS01

Receptor Information
>2a4m Chain C (length=331) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARPRVLTGDRPTGALHLGHLAGSLQNRVRLQDEAELFVLLADVQALTDHF
DRPEQVRENVLAVALDYLAAGLDPQKTTCVVQSAVPELAELTVYFLNLVT
VSHLRQNPTVKAEIAQKGYGERVPAGFFVYPVSQAADIAAFGATLVPVGD
DQLPMLEQTREIVRRFNALYAPVLAEPQAQLSRVPRLPGLDGQAKMSKSL
GNAIALGDSADEVARKVMGMYTDPGHLRASDPGRVEGNPVFTFLDAFDPD
PARVQALKDQYRAGGLGDVKVKKHLIDVLNGVLAPIRTRRAEYERDPDAV
LRFVTEGTARGREVAAQTLGQVRRAMRLFGH
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 chain2a4m Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a4m Structures of Tryptophanyl-tRNA Synthetase II from Deinococcus radiodurans Bound to ATP and Tryptophan: Insight into subunit cooperativity and domain motions linked to catalysis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R30 Q64 Q154
Binding residue
(residue number reindexed from 1)		R10 Q44 Q134
Annotation score5
Binding affinityMOAD: Kd=30uM
PDBbind-CN: -logKd/Ki=4.52,Kd=30uM
Enzymatic activity
Catalytic site (original residue number in PDB) E133 K215 K218
Catalytic site (residue number reindexed from 1) E113 K195 K198
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2a4m, PDBe:2a4m, PDBj:2a4m
PDBsum2a4m
PubMed15998643
UniProtQ9RVD6|SYW2_DEIRA Tryptophan--tRNA ligase 2 (Gene Name=trpS2)

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