Structure of PDB 4bvx Chain A Binding Site BS02

Receptor Information
>4bvx Chain A (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLFVSDGVPGCLPVLAAAGRARGRAEVLISTVGPQDCVVPFLTRPKVPV
LQLDSGNYLFSTSAICRYFFLLSGWEQDDLTNQWLEWEATELQPALSAAL
YYLVVQGKKGEDVLGSVRRALTHIDHSLSRQNCPFLAGETESLADIVLWG
ALYPLLQDPAYLPEELSALHSWFQTLSTQEPCQRAAQTVLKQQGVLALRP
YLQ
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain4bvx Chain A Residue 1205 [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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PDB4bvx Assembly of Multi-tRNA Synthetase Complex Via Heterotetrameric Glutathione Transferase-Homology Domains.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R25 L71
Binding residue
(residue number reindexed from 1)		R25 L71
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.10: methionine--tRNA ligase.
External links
PDB RCSB:4bvx, PDBe:4bvx, PDBj:4bvx
PDBsum4bvx
PubMed26472928
UniProtP56192|SYMC_HUMAN Methionine--tRNA ligase, cytoplasmic (Gene Name=MARS1)

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