Structure of PDB 8e5e Chain A Binding Site BS04

Receptor Information
>8e5e Chain A (length=134) Species: 95486 (Burkholderia cenocepacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSYALGPYQISAPQLPAYNGQTVGTFYYVNDAGGLESKVFSSGGPTPYPN
YANAGHVAGQSALFMRDNGISEGLVFHNNPEGTCGFCVNMTETLLPENAK
MTVVPPEGAIPVKRGATGETKVFTGNSNSPKSPH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8e5e Chain A Residue 1502 [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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PDB8e5e Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		E1381 T1382 L1384 N1415 N1417
Binding residue
(residue number reindexed from 1)		E92 T93 L95 N126 N128
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.-
External links
PDB RCSB:8e5e, PDBe:8e5e, PDBj:8e5e
PDBsum8e5e
PubMed37460895
UniProtP0DUH5|DDDA_BURC1 Double-stranded DNA deaminase toxin A (Gene Name=dddA)

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