6QDS

Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by semi-synthetic fusicoccane FC-NCPC

External Resource: Annotation

Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Protein Modification Annotation

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	14-3-3 protein	8082819	3001329	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)
A	14-3-3	e6qdsA1	A: alpha superhelices	X: Repetitive alpha hairpins	H: ARM repeat (From Topology)	T: ARM repeat	F: 14-3-3	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.20.190.20	Mainly Alpha	Up-down Bundle	Delta-Endotoxin	domain 1	CATH (utative)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	PF00244	14-3-3 protein (14-3-3)	14-3-3 protein	-	Repeat

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
B	Serine/threonine-protein kinase PAK 6	catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity protein serine kinase activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity protein serine kinase activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding cell adhesion molecule binding cadherin binding protein binding protein serine/threonine kinase activity	behavior multicellular organismal process locomotory behavior system process learning learning or memory nervous system process cognition cellular process apoptotic process cell death programmed cell death cellular response to stimulus regulation of biological process behavior multicellular organismal process locomotory behavior system process learning learning or memory nervous system process cognition cellular process apoptotic process cell death programmed cell death cellular response to stimulus regulation of biological process regulation of signaling regulation of cellular process response to stimulus signaling biological regulation regulation of signal transduction regulation of MAPK cascade intracellular signal transduction cell communication regulation of intracellular signal transduction regulation of response to stimulus intracellular signaling cassette MAPK cascade regulation of cell communication signal transduction cellular developmental process developmental growth cell projection organization plasma membrane bounded cell projection morphogenesis cell development neuron projection development cell growth cell morphogenesis cellular component organization neurogenesis multicellular organism development cell projection morphogenesis neuron differentiation neuron projection morphogenesis cell differentiation anatomical structure development cellular component organization or biogenesis system development developmental process neuron projection extension plasma membrane bounded cell projection organization developmental cell growth growth nervous system development developmental growth involved in morphogenesis generation of neurons anatomical structure morphogenesis neuron development memory organelle organization cytoskeleton organization RNA metabolic process regulation of primary metabolic process nucleobase-containing compound metabolic process RNA biosynthetic process nucleic acid biosynthetic process DNA-templated transcription regulation of RNA metabolic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process primary metabolic process regulation of macromolecule metabolic process nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process regulation of gene expression biosynthetic process metabolic process regulation of macromolecule biosynthetic process regulation of DNA-templated transcription macromolecule metabolic process regulation of metabolic process neuron projection arborization	cellular anatomical structure cell junction intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle nucleus membrane-enclosed lumen intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle nucleoplasm organelle lumen organelle cellular anatomical structure cell junction intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle nucleus membrane-enclosed lumen intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle nucleoplasm organelle lumen organelle nuclear lumen postsynaptic density postsynapse neuron to neuron synapse postsynaptic specialization synapse asymmetric synapse intracellular membraneless organelle nucleolus fibrillar center membraneless organelle
A	14-3-3 protein sigma	phosphoprotein binding protein binding binding phosphoserine residue binding protein phosphorylated amino acid binding enzyme regulator activity protein kinase inhibitor activity molecular function inhibitor activity molecular function regulator activity enzyme inhibitor activity protein kinase C inhibitor activity protein kinase regulator activity protein serine/threonine kinase inhibitor activity kinase inhibitor activity phosphoprotein binding protein binding binding phosphoserine residue binding protein phosphorylated amino acid binding enzyme regulator activity protein kinase inhibitor activity molecular function inhibitor activity molecular function regulator activity enzyme inhibitor activity protein kinase C inhibitor activity protein kinase regulator activity protein serine/threonine kinase inhibitor activity kinase inhibitor activity kinase regulator activity molecular sequestering activity protein sequestering activity kinase binding enzyme binding protein kinase binding cell adhesion molecule binding cadherin binding identical protein binding	regulation of biological process regulation of growth regulation of cellular process regulation of cellular component organization positive regulation of biological process biological regulation growth positive regulation of cell growth regulation of cell growth cell growth cellular component organization positive regulation of growth cellular process cellular component organization or biogenesis regulation of biological process regulation of growth regulation of cellular process regulation of cellular component organization positive regulation of biological process biological regulation growth positive regulation of cell growth regulation of cell growth cell growth cellular component organization positive regulation of growth cellular process cellular component organization or biogenesis positive regulation of cellular process protein localization localization cellular localization cellular macromolecule localization macromolecule localization regulation of localization regulation of protein localization negative regulation of biological process negative regulation of protein localization to plasma membrane negative regulation of cellular process regulation of protein localization to membrane negative regulation of protein localization protein localization to cell periphery protein localization to plasma membrane localization within membrane regulation of protein localization to cell periphery protein localization to membrane negative regulation of protein localization to membrane regulation of cellular localization negative regulation of protein localization to cell periphery regulation of protein localization to plasma membrane establishment of protein localization nitrogen compound transport nucleocytoplasmic transport transport nuclear transport intracellular transport protein export from nucleus establishment of localization protein transport establishment of localization in cell nuclear export intracellular protein transport epidermal cell division cell division regulation of epidermal cell division regulation of cell division developmental process establishment of skin barrier epithelium development skin development skin epidermis development epidermis development anatomical structure development animal organ development tissue development regulation of defense response regulation of response to biotic stimulus biological process involved in interspecies interaction between organisms negative regulation of response to biotic stimulus response to stimulus regulation of response to external stimulus response to biotic stimulus response to stress regulation of response to stress innate immune response regulation of immune system process response to external biotic stimulus negative regulation of response to stimulus immune response response to other organism defense response regulation of innate immune response negative regulation of immune response defense response to symbiont response to external stimulus regulation of response to stimulus negative regulation of immune system process immune system process defense response to other organism negative regulation of response to external stimulus negative regulation of defense response regulation of immune response negative regulation of innate immune response cell population proliferation epithelial cell proliferation keratinocyte proliferation cellular response to stimulus signaling intracellular signal transduction cell communication protein kinase A signaling signal transduction cell adhesion cell-cell adhesion regulation of cell adhesion regulation of cell-cell adhesion negative regulation of cell population proliferation regulation of stem cell proliferation negative regulation of stem cell proliferation stem cell proliferation regulation of cell population proliferation positive regulation of cell adhesion regulation of protein modification process regulation of catalytic activity regulation of protein phosphorylation negative regulation of phosphate metabolic process negative regulation of catalytic activity regulation of transferase activity regulation of primary metabolic process negative regulation of kinase activity negative regulation of transferase activity regulation of phosphate metabolic process phosphate-containing compound metabolic process negative regulation of protein modification process protein metabolic process phosphorus metabolic process protein modification process negative regulation of protein metabolic process negative regulation of macromolecule metabolic process protein phosphorylation phosphorylation regulation of protein metabolic process negative regulation of metabolic process negative regulation of molecular function primary metabolic process negative regulation of protein kinase activity regulation of protein kinase activity regulation of macromolecule metabolic process regulation of molecular function regulation of kinase activity negative regulation of protein phosphorylation macromolecule modification negative regulation of phosphorus metabolic process regulation of phosphorylation regulation of phosphorus metabolic process metabolic process macromolecule metabolic process negative regulation of phosphorylation regulation of metabolic process positive regulation of nucleocytoplasmic transport positive regulation of establishment of protein localization positive regulation of protein transport positive regulation of intracellular transport regulation of protein export from nucleus regulation of intracellular transport regulation of transport regulation of establishment of protein localization regulation of nucleocytoplasmic transport regulation of protein transport positive regulation of protein export from nucleus positive regulation of transport positive regulation of protein localization regulation of intracellular protein transport positive regulation of intracellular protein transport cell death apoptotic signaling pathway cellular response to stress DNA damage response intrinsic apoptotic signaling pathway in response to DNA damage apoptotic process intrinsic apoptotic signaling pathway programmed cell death multicellular organismal process keratinization epidermal cell differentiation cellular developmental process epithelial cell differentiation cell differentiation keratinocyte differentiation keratinocyte development cell development epithelial cell development regulation of keratinocyte proliferation negative regulation of keratinocyte proliferation regulation of epithelial cell proliferation negative regulation of epithelial cell proliferation cell cycle regulation of cell cycle RNA metabolic process negative regulation of RNA biosynthetic process RNA biosynthetic process nucleobase-containing compound metabolic process DNA-templated transcription nucleic acid biosynthetic process regulation of RNA metabolic process transcription by RNA polymerase II negative regulation of nucleobase-containing compound metabolic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process regulation of transcription by RNA polymerase II negative regulation of DNA-templated transcription negative regulation of transcription by RNA polymerase II nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process regulation of gene expression biosynthetic process negative regulation of biosynthetic process negative regulation of macromolecule biosynthetic process regulation of macromolecule biosynthetic process regulation of DNA-templated transcription negative regulation of RNA metabolic process apoptotic mitochondrial changes release of cytochrome c from mitochondria organelle organization mitochondrion organization regulation of developmental process regulation of epidermal cell differentiation regulation of cell differentiation regulation of epithelial cell differentiation positive regulation of developmental process multicellular organism development positive regulation of cell differentiation regulation of multicellular organismal process regulation of multicellular organismal development positive regulation of epidermis development positive regulation of epithelial cell differentiation regulation of epidermis development positive regulation of epidermal cell differentiation	extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle nucleus intracellular membrane-bounded organelle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
B	IPR000095	CRIB domain	Domain
B	IPR017441	Protein kinase, ATP binding site	Binding Site
B	IPR050285	STE20 Serine/Threonine-Protein Kinase	Family
B	IPR000719	Protein kinase domain	Domain
B	IPR036936	CRIB domain superfamily	Homologous Superfamily
B	IPR033923	p21 activated kinase binding domain	Domain
B	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
B	IPR035066	Serine/threonine-protein kinase PAK 6, catalytic domain	Domain
A	IPR023409	14-3-3 protein, conserved site	Conserved Site
A	IPR023410	14-3-3 domain	Domain
A	IPR037435	14-3-3 protein sigma	Family
A	IPR036815	14-3-3 domain superfamily	Homologous Superfamily
A	IPR000308	14-3-3 protein	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
B	Pharos: Q9NQU5	prostate cancer chronic kidney disease myocardial infarction Small cell carcinoma of lung colorectal cancer heart disease
A	Pharos: P31947	esophageal squamous cell carcinoma squamous cell carcinoma esophageal cancer Lymphatic Metastasis keloid lung adenocarcinoma malignant pancreatic neoplasm non-small cell lung carcinoma ovarian cancer pancreatic intraductal papillary-mucinous neoplasm sarcoidosis cystic fibrosis interstitial cystitis malignant mesothelioma oral cavity neoplasm esophageal squamous cell carcinoma squamous cell carcinoma esophageal cancer Lymphatic Metastasis keloid lung adenocarcinoma malignant pancreatic neoplasm non-small cell lung carcinoma ovarian cancer pancreatic intraductal papillary-mucinous neoplasm sarcoidosis cystic fibrosis interstitial cystitis malignant mesothelioma oral cavity neoplasm pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia atypical teratoid rhabdoid tumor spina bifida diabetes mellitus malignant ependymoma neoplasm of esophagus osteosarcoma pancreatic intraductal papillary-mucinous carcinoma psoriasis breast cancer ductal breast carcinoma in situ hepatocellular carcinoma large cell medulloblastoma lung cancer malignant glioma

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
B	ACE	RESID: AA0041 , AA0042 , AA0043 , AA0044 , AA0045 , AA0046 , AA0049 , AA0050 , AA0051 , AA0052 , AA0053 , AA0054 , AA0354 PSI-MOD : N-acetyl-L-alanine MOD:00050 , N-acetyl-L-aspartic acid MOD:00051 , N-acetyl-L-cysteine MOD:00052 , N-acetyl-S-archeol-cysteine MOD:00897 , N-acetyl-L-glutamic acid MOD:00053 , N-acetyl-L-glutamine MOD:00054 , N-acetylglycine MOD:00055 , N-acetyl-L-methionine MOD:00058 , N-acetyl-L-proline MOD:00059 , N-acetyl-L-serine MOD:00060 , N,O-diacetylated L-serine MOD:00648 , N-acetyl-L-threonine MOD:00061 , N-acetyl-L-tyrosine MOD:00062 , N-acetyl-L-valine MOD:00063 , N2-acetyl-L-arginine MOD:00359
B	TPO	Parent Component: THR RESID: AA0041 , AA0042 , AA0043 , AA0044 , AA0045 , AA0046 , AA0049 , AA0050 , AA0051 , AA0052 , AA0053 , AA0054 , AA0354 , AA0038 PSI-MOD : N-acetyl-L-alanine MOD:00050 , N-acetyl-L-aspartic acid MOD:00051 , N-acetyl-L-cysteine MOD:00052 , N-acetyl-S-archeol-cysteine MOD:00897 , N-acetyl-L-glutamic acid MOD:00053 , N-acetyl-L-glutamine MOD:00054 , N-acetylglycine MOD:00055 , N-acetyl-L-methionine MOD:00058 , N-acetyl-L-proline MOD:00059 , N-acetyl-L-serine MOD:00060 , N,O-diacetylated L-serine MOD:00648 , N-acetyl-L-threonine MOD:00061 , N-acetyl-L-tyrosine MOD:00062 , N-acetyl-L-valine MOD:00063 , N2-acetyl-L-arginine MOD:00359 , O-phospho-L-threonine MOD:00047

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.