Structure of PDB 8h53 Chain B Binding Site BS02

Receptor Information
>8h53 Chain B (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPKCVKIGALEGYRGQRVKVFGWVHRLRRQGKNLMFLVLRDGTGYLQCVL
ADELCQCYNGVLLSTESSVAVYGMLNLTPKGKQAPGGHELSCDFWELIGL
APAGSDVDVQLNNRHMMIRGENMSKILKARSMVTRCFRDHFFDRGYYEVT
PPTLVQTQVEGGATLFKLDYFGEEAFLTQSSQLYLETCLPALGDVFCIAQ
SYRAEQSRTRRHLAEYTHVEAECPFLTFDDLLNRLEDLVCDVVDRILKSP
AGSIVHELNPNFQPPKRPFKRMNYSDAIVWLKEHDVKKEDGTFYEFGEDI
PEAPERLMTDTINEPILLCRFPVEIKSFYMQRCPEDSRLTESVDVLMPNV
GEIVGGSMRIFDSEEILAGYKREGIDPTPYYWYTDQRKYGTCPHGGYGLG
LERFLTWILNRYHIRDVCLYPRFVQRCTP
Ligand information
Ligand ID2PN
InChIInChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKeyGNGSOPFGGKKDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)NP(=O)(O)O
FormulaH5 N O6 P2
NameIMIDODIPHOSPHORIC ACID
ChEMBLCHEMBL265450
DrugBank
ZINCZINC000263621374
PDB chain8h53 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h53 Human asparaginyl-tRNA synthetase in complex with asparagine-AMP
Resolution2.16 Å
Binding residue
(original residue number in PDB)		R330 H331 E471 R522
Binding residue
(residue number reindexed from 1)		R211 H212 E352 R403
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.22: asparagine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004816 asparagine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006421 asparaginyl-tRNA aminoacylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8h53, PDBe:8h53, PDBj:8h53
PDBsum8h53
PubMed38297033
UniProtO43776|SYNC_HUMAN Asparagine--tRNA ligase, cytoplasmic (Gene Name=NARS1)

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