Structure of PDB 5sxg Chain B Binding Site BS03

Receptor Information
>5sxg Chain B (length=172) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYLMDPDTFTSNFNNDPLVLRRRQTYLCYEVERDQHMGFLCNESGRHAEL
RFLDLVPSLQLDPAQIYRVTWFISWSPCFSWGCAGEVRAFLQENTHVRLR
IKAARIYDYDPLYKEALQMLRDAGAQVSIMTYDEFEYCWDTFVYRQGCPF
QPWDGLEEHSQALSGRLRAILQ
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain5sxg Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5sxg Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		D314 Y319 R372
Binding residue
(residue number reindexed from 1)		D108 Y113 R166
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.38: single-stranded DNA cytosine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5sxg, PDBe:5sxg, PDBj:5sxg
PDBsum5sxg
PubMed29234087
UniProtQ9UH17|ABC3B_HUMAN DNA dC->dU-editing enzyme APOBEC-3B (Gene Name=APOBEC3B)

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