Structure of PDB 7aqm Chain A Binding Site BS01

Receptor Information

>7aqm Chain A (length=328) Species: 7897 (Latimeria chalumnae)

PMVSLAQVRGALCGALLGDCMGAEFEGSDAVELPDVLEFVRLLEKEKKAG
TLFYTDDTAMTRAVIQSLIAKPDFDEVDMAKRFAEEYKKEPTRGYGAGVV
QVFKKLLSPKYSDVFQPAREQFDGKGSYGNGGAMRVASIALAYPNIQDVI
KFARRSAQLTHASPLGYNGAILQALAVHFALQGELKRDTFLEQLIGEMER
IEKLPFCSRLKKIKEFLASSNVPKADIVDELGHGIAALESVPTAIYSFLH
CMESDPDIPDLYNNLQRTIIYSISLGGDTDTIATMAGAIAGAYYGMDQVT
PSWKRSCEAIVETEESAVKLYELYCKQL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7aqm Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7aqm Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T62 D63 D64 D305
• Binding residue (residue number reindexed from 1): T55 D56 D57 D280
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.143: poly(ADP-ribose) glycohydrolase.
  3.2.2.-
  3.5.1.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004649 poly(ADP-ribose) glycohydrolase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006281 DNA repair
• GO:0060546 negative regulation of necroptotic process
• GO:0140290 peptidyl-serine ADP-deribosylation

Cellular Component

• GO:0005634 nucleus
• GO:0005694 chromosome
• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005759 mitochondrial matrix

External links

• PDB: RCSB:7aqm, PDBe:7aqm, PDBj:7aqm
• PDBsum: 7aqm
• PubMed: 34321462
• UniProt: H3BCW1|ADPRS_LATCH ADP-ribosylhydrolase ARH3 (Gene Name=adprs)