Structure of PDB 6e1j Chain A Binding Site BS01

Receptor Information

>6e1j Chain A (length=409) Species: 3707 (Brassica juncea)

VERWPEYIPNKLPDKNYVRVFDTTLRDGEQSPGAALTPPQKIEIARQLAK
LRVDIMEVGFPVSSEEEFETIQTIAKTVGNEVDEETGYIPVICVIARSKE
RDIKAAWESVKYAKRPRIVIFTSTSDIHLKYKLKMTREEVVDMVASSIRF
AKSLGFEDIEFGCEDGGRSDKDYICTVFEEAIKAGATTLACPDTVGINMP
HEYGKLVRYIKANTPGIDDVIFSAHCHNDLGVATANTIAGICAGARQVEV
TINGIGERSGNAPLEEVVMALKCRGAFVMGGVYTRIDTRQIMATSKMVQE
YTGLYVQPHKPIVGANCFVHESGIHQDGILKNRSTYEIISPEDVGVVKSQ
NSGIVLGKLSGRHAVKGRLKELGYEISDEKLNEVFSRFRDLTKQKKRVTD
DDLKALVTC

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6e1j Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6e1j Molecular Basis of the Evolution of Methylthioalkylmalate Synthase and the Diversity of Methionine-Derived Glucosinolates.
• Resolution: 2.096 Å
• Binding residue (original residue number in PDB): D90 H288 H290
• Binding residue (residue number reindexed from 1): D27 H225 H227
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0003852 2-isopropylmalate synthase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding
• GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer

Biological Process

• GO:0009098 L-leucine biosynthetic process
• GO:0019752 carboxylic acid metabolic process
• GO:0043436 oxoacid metabolic process

Cellular Component

• GO:0009507 chloroplast

External links

• PDB: RCSB:6e1j, PDBe:6e1j, PDBj:6e1j
• PDBsum: 6e1j
• PubMed: 31023839
• UniProt: C5J4P1