Structure of PDB 8e5d Chain A Binding Site BS04

Receptor Information
>8e5d Chain A (length=136) Species: 95486 (Burkholderia cenocepacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSYALGPYQISAPQLPAYNGQTVGTFYYVNDAGGLESKVFSSGGPTPYPN
YANAGHVAGQSALFMRDNGISEGLVFHNNPEGTCGFCVNMTETLLPENAK
MTVVPPEGAIPVKRGATGETKVFTGNSNSPKSPHHH
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 chain8e5d Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e5d Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA.
Resolution2.39 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:8e5d, PDBe:8e5d, PDBj:8e5d
PDBsum8e5d
PubMed37460895
UniProtP0DUH5|DDDA_BURC1 Double-stranded DNA deaminase toxin A (Gene Name=dddA)

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