3V4K

First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
B	d3v4kb_	Alpha and beta proteins (a/b)	Cytidine deaminase-like	Cytidine deaminase-like	apolipoprotein B messenger RNA-editing enzyme catalytic (APOBEC) cytidine deaminase domains	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d3v4ka_	Alpha and beta proteins (a/b)	Cytidine deaminase-like	Cytidine deaminase-like	apolipoprotein B messenger RNA-editing enzyme catalytic (APOBEC) cytidine deaminase domains	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	Cytidine deaminase-like	8105521	3001838	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Cytidine deaminase-like	8105521	3001838	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	APOBEC_N	e3v4kB1	A: a+b three layers	X: Cytidine deaminase-like (From Topology)	H: Cytidine deaminase-like (From Topology)	T: Cytidine deaminase-like	F: APOBEC_N	ECOD (1.6)
A	APOBEC_N	e3v4kA1	A: a+b three layers	X: Cytidine deaminase-like (From Topology)	H: Cytidine deaminase-like (From Topology)	T: Cytidine deaminase-like	F: APOBEC_N	ECOD (1.6)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF05240	APOBEC-like C-terminal domain (APOBEC_C)	APOBEC-like C-terminal domain	This domain is found at the C-termini of the Apolipoprotein B mRNA editing enzyme.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	DNA dC->dU-editing enzyme APOBEC-3G	RNA binding binding organic cyclic compound binding nucleic acid binding hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines cytidine deaminase activity hydrolase activity catalytic activity deaminase activity hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds dCTP deaminase activity cation binding transition metal ion binding zinc ion binding RNA binding binding organic cyclic compound binding nucleic acid binding hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines cytidine deaminase activity hydrolase activity catalytic activity deaminase activity hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds dCTP deaminase activity cation binding transition metal ion binding zinc ion binding ion binding metal ion binding small molecule binding identical protein binding protein binding	regulation of cellular process negative regulation of biological process cellular component organization chromatin organization negative regulation of cellular process chromatin remodeling cellular component organization or biogenesis negative regulation of macromolecule metabolic process retrotransposition regulation of biosynthetic process regulation of biological process epigenetic regulation of gene expression negative regulation of metabolic process biological regulation regulation of cellular process negative regulation of biological process cellular component organization chromatin organization negative regulation of cellular process chromatin remodeling cellular component organization or biogenesis negative regulation of macromolecule metabolic process retrotransposition regulation of biosynthetic process regulation of biological process epigenetic regulation of gene expression negative regulation of metabolic process biological regulation regulation of macromolecule metabolic process gene expression transposition macromolecule biosynthetic process regulation of gene expression negative regulation of gene expression biosynthetic process negative regulation of biosynthetic process negative regulation of macromolecule biosynthetic process transposable element silencing negative regulation of gene expression, epigenetic regulation of macromolecule biosynthetic process metabolic process cellular process macromolecule metabolic process regulation of metabolic process cytidine to uridine editing RNA metabolic process primary metabolic process nucleic acid metabolic process nucleobase-containing compound metabolic process RNA modification base conversion or substitution editing macromolecule modification negative regulation of viral process regulation of viral process viral process biological process involved in interspecies interaction between organisms response to stimulus immune response response to other organism defense response defense response to symbiont response to external stimulus response to biotic stimulus immune system process defense response to other organism response to stress innate immune response response to external biotic stimulus DNA cytosine deamination DNA metabolic process DNA deamination DNA modification negative regulation of viral genome replication viral life cycle regulation of viral life cycle viral genome replication regulation of viral genome replication regulation of defense response regulation of response to biotic stimulus regulation of response to external stimulus regulation of defense response to virus defense response to virus regulation of response to stimulus regulation of response to stress positive regulation of defense response to virus by host regulation of defense response to virus by host response to virus glycosyl compound metabolic process catabolic process pyrimidine-containing compound catabolic process carbohydrate derivative metabolic process pyrimidine nucleoside metabolic process nucleobase-containing small molecule metabolic process small molecule metabolic process cytidine deamination carbohydrate derivative catabolic process pyrimidine-containing compound metabolic process pyrimidine nucleoside catabolic process cytidine metabolic process glycosyl compound catabolic process nucleoside metabolic process nucleobase-containing compound catabolic process cytidine catabolic process pyrimidine ribonucleoside metabolic process nucleobase-containing small molecule catabolic process nucleoside catabolic process pyrimidine ribonucleoside catabolic process small molecule catabolic process ribonucleoside catabolic process ribonucleoside metabolic process regulation of single stranded viral RNA replication via double stranded DNA intermediate negative regulation of single stranded viral RNA replication via double stranded DNA intermediate negative regulation of RNA biosynthetic process regulation of primary metabolic process RNA biosynthetic process nucleic acid biosynthetic process regulation of RNA metabolic process viral RNA genome replication negative regulation of nucleobase-containing compound metabolic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process nucleobase-containing compound biosynthetic process single stranded viral RNA replication via double stranded DNA intermediate negative regulation of RNA metabolic process	cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle protein-containing complex apolipoprotein B mRNA editing enzyme complex catalytic complex mRNA editing complex nucleus nuclear protein-containing complex intracellular membrane-bounded organelle intracellular organelle organelle cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle protein-containing complex apolipoprotein B mRNA editing enzyme complex catalytic complex mRNA editing complex nucleus nuclear protein-containing complex intracellular membrane-bounded organelle intracellular organelle organelle cytoplasmic ribonucleoprotein granule intracellular membraneless organelle ribonucleoprotein granule membraneless organelle supramolecular complex P-body ribonucleoprotein complex

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR050610	APOBEC Cytidine Deaminase	Family
A, B	IPR016193	Cytidine deaminase-like	Homologous Superfamily
A, B	IPR002125	Cytidine and deoxycytidylate deaminase domain	Domain
A, B	IPR016192	APOBEC/CMP deaminase, zinc-binding	Binding Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: Q9HC16	Sjogren syndrome ulcerative colitis adrenal cortex carcinoma B-cell chronic lymphocytic leukemia Crohn disease invasive ductal breast carcinoma malignant glioma ovarian cancer plasma cell myeloma subependymal giant cell astrocytoma AIDS breast cancer cutaneous lupus erythematosus lung cancer malignant mesothelioma Sjogren syndrome ulcerative colitis adrenal cortex carcinoma B-cell chronic lymphocytic leukemia Crohn disease invasive ductal breast carcinoma malignant glioma ovarian cancer plasma cell myeloma subependymal giant cell astrocytoma AIDS breast cancer cutaneous lupus erythematosus lung cancer malignant mesothelioma pilocytic astrocytoma psoriasis tuberculosis astrocytic tumor chronic kidney disease glioblastoma lung carcinoma osteosarcoma pituitary cancer

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.