Structure of PDB 3v4k Chain B Binding Site BS02

Receptor Information
>3v4k Chain B (length=186) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSMDPPTFTFNFNNEPWVRGRHETYLCYEVERMHNDTWVKLNQRRGFLAN
QAPHKHGFLEGRHAELCFLDVIPFWKLDLDQDYRVTCFTSWSPCFSCAQE
MAKFISKNKHVSLCIKTARIYDDQGRCQEGLRTLAEAGAKISIMTYSEFK
HCWDTFVDHQGAPFQPWDGLDEHSQDLSGRLRAILQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3v4k Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v4k First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		H248 H250
Binding residue
(residue number reindexed from 1)		H54 H56
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:3v4k, PDBe:3v4k, PDBj:3v4k
PDBsum3v4k
PubMed22181350
UniProtQ9HC16|ABC3G_HUMAN DNA dC->dU-editing enzyme APOBEC-3G (Gene Name=APOBEC3G)

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