Structure of PDB 4q2x Chain B Binding Site BS01

Receptor Information
>4q2x Chain B (length=582) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMINIISRLQEVFGHAIKAAYPDLENPPLLVTPSQQAKFGDYQCNSAMG
ISQMLKKEQKVNPREIAENITKHLPDNECIEKVEIAGPGFINVHLRKDFV
SEQLTSLLVNGVQLPALNKKVIVDFSSPNIAKEMHVGHLRSTIIGESISR
LFEFAGYDVLRLNHVGDWGTQFGMLIAHLQDKFPDYLTVSPPIGDLQVFY
KESKKRFDTEEEFKKRAYQCVVLLQGKNPDITKAWKLICDVSRQELNKIY
DALDVSLIERGESFYQDRMNDIVKEFEDRGFVQVDDGRKIVFVPGCSIPL
TIVKSDGGYTYDTSDLAAIKQRLFEEKADMIIYVVDNGQSVHFQTIFAAA
QMIGWYDPKVTRVFHAGFGVVLGEDKKKFKTRETVRLMDLLGEGLKRSMD
KLKEKERDKVLTAEELNAAQTSVAYGCIKYADLSRNRLNDYIFSFDKMLD
DRGNTAAYLLYAFTRIRSIARLANIDEEMLQKAARETKILLDHEKEWKLG
RCILRFPEILQKILDDLFLHTLCDYIYELATAFTEFYDSCYCVDRQTGKL
KVNMWRMLLCEAVAAVMAKGFDILGIKPVQRM
Ligand information
Ligand IDGGB
InChIInChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKeyFSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
FormulaC5 H12 N4 O3
NameL-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
ChEMBLCHEMBL443732
DrugBankDB01833
ZINCZINC000003869452
PDB chain4q2x Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q2x The crystal structure of arginyl-tRNA synthetase from Homo sapiens
Resolution2.798 Å
Binding residue
(original residue number in PDB)		D125 S128 N130 H165 Y312 D316 Y334 V336
Binding residue
(residue number reindexed from 1)		D124 S127 N129 H164 Y311 D315 Y333 V335
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K133 H136 H139
Catalytic site (residue number reindexed from 1) K132 H135 H138
Enzyme Commision number 6.1.1.19: arginine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004814 arginine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006420 arginyl-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:4q2x, PDBe:4q2x, PDBj:4q2x
PDBsum4q2x
PubMed24859084
UniProtP54136|SYRC_HUMAN Arginine--tRNA ligase, cytoplasmic (Gene Name=RARS1)

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