Structure of PDB 4q2t Chain B Binding Site BS01

Receptor Information
>4q2t Chain B (length=588) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMINIISRLQEVFGHAIKAAYPDLENPPLLVTPSQQAKFGDYQCNSAMG
ISQMLKTKEQKVNPREIAENITKHLPDNECIEKVEIAGPGFINVHLRKDF
VSEQLTSLLVNGVQLPALGENKKVIVDFSSPNIAKEMHVGHLRSTIIGES
ISRLFEFAGYDVLRLNHVGDWGTQFGMLIAHLQDKFPDYLTVSPPIGDLQ
VFYKESKKRFDTEEEFKKRAYQCVVLLQGKNPDITKAWKLICDVSRQELN
KIYDALDVSLIERGESFYQDRMNDIVKEFEDRGFVQVDDGRKIVFVPGCS
IPLTIVKSDGGYTYDTSDLAAIKQRLFEEKADMIIYVVDNGQSVHFQTIF
AAAQMIGWYDPKVTRVFHAGFGVVLGEDKKKFKTRETVRLMDLLGEGLKR
SMDKLKEKERDKVLTAEELNAAQTSVAYGCIKYADLSRNRLNDYIFSFDK
MLDDRGNTAAYLLYAFTRIRSIARLANIDEEMLQKAARETKILLDHEKEW
KLGRCILRFPEILQKILDDLFLHTLCDYIYELATAFTEFYDSCYCVEKDR
QTGKILKVNMWRMLLCEAVAAVMAKGFDILGIKPVQRM
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain4q2t Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q2t The crystal structure of arginyl-tRNA synthetase from Homo sapiens
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D125 S128 N130 H165 Y312 D316 F344
Binding residue
(residue number reindexed from 1)		D127 S130 N132 H167 Y314 D318 F346
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K133 H136 H139
Catalytic site (residue number reindexed from 1) K135 H138 H141
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:4q2t, PDBe:4q2t, PDBj:4q2t
PDBsum4q2t
PubMed24859084
UniProtP54136|SYRC_HUMAN Arginine--tRNA ligase, cytoplasmic (Gene Name=RARS1)

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