4BGG

Crystal structure of the ACVR1 kinase in complex with LDN-213844

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
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

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4bgga_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4bggb_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d4bggc_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d4bggd_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	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)
A	SCOP2B Superfamily	Protein kinase-like (PK-like)	8080453	3000066	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Protein kinase-like (PK-like)	8080453	3000066	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Protein kinase-like (PK-like)	8080453	3000066	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Protein kinase-like (PK-like)	8080453	3000066	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	Pkinase_Tyr	e4bggA1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)
B	Pkinase_Tyr	e4bggB2	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)
C	Pkinase_Tyr	e4bggC2	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)
D	Pkinase_Tyr	e4bggD2	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
A	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
B	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
B	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
C	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
C	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
D	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
D	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00069	Protein kinase domain (Pkinase)	Protein kinase domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	ACTIVIN RECEPTOR TYPE-1	protein-containing complex binding activin binding 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 protein-containing complex binding activin binding 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 catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups amide binding peptide hormone binding hormone binding protein tyrosine kinase binding kinase binding enzyme binding protein kinase binding cation binding metal ion binding transforming growth factor beta binding growth factor binding cytokine binding identical protein binding protein homodimerization activity protein dimerization activity SMAD binding protein serine/threonine kinase activity BMP receptor activity molecular transducer activity signaling receptor activity transmembrane receptor protein serine/threonine kinase activity transmembrane receptor protein kinase activity transmembrane signaling receptor activity transforming growth factor beta receptor activity, type I transforming growth factor beta receptor activity activin receptor activity activin receptor activity, type I	cellular response to stimulus regulation of signaling regulation of biological process regulation of cellular process response to stimulus negative regulation of signaling signaling negative regulation of response to stimulus biological regulation negative regulation of biological process regulation of signal transduction negative regulation of signal transduction negative regulation of cell communication cell communication regulation of response to stimulus cellular response to stimulus regulation of signaling regulation of biological process regulation of cellular process response to stimulus negative regulation of signaling signaling negative regulation of response to stimulus biological regulation negative regulation of biological process regulation of signal transduction negative regulation of signal transduction negative regulation of cell communication cell communication regulation of response to stimulus negative regulation of cellular process regulation of cell communication cellular process signal transduction positive regulation of cell communication cell surface receptor protein serine/threonine kinase signaling pathway positive regulation of signal transduction regulation of transmembrane receptor protein serine/threonine kinase signaling pathway positive regulation of biological process intracellular signal transduction positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette enzyme-linked receptor protein signaling pathway positive regulation of cellular process cell surface receptor signaling pathway positive regulation of intracellular signal transduction positive regulation of transmembrane receptor protein serine/threonine kinase signaling pathway SMAD protein signal transduction regulation of SMAD protein signal transduction positive regulation of SMAD protein signal transduction positive regulation of signaling developmental process heart development multicellular organism development multicellular organismal process anatomical structure development animal organ development circulatory system development system development cardiac chamber morphogenesis heart morphogenesis ventricular septum development anatomical structure morphogenesis cardiac septum development cardiac septum morphogenesis ventricular septum morphogenesis cardiac chamber development animal organ morphogenesis cardiac ventricle development activin receptor signaling pathway negative regulation of activin receptor signaling pathway transforming growth factor beta receptor superfamily signaling pathway regulation of activin receptor signaling pathway negative regulation of transmembrane receptor protein serine/threonine kinase signaling pathway dorsal/ventral pattern formation pattern specification process regionalization regulation of developmental process regulation of biomineral tissue development regulation of bone mineralization positive regulation of ossification positive regulation of developmental process positive regulation of biomineral tissue development ossification biomineral tissue development regulation of multicellular organismal process regulation of multicellular organismal development bone mineralization tissue development positive regulation of bone mineralization positive regulation of multicellular organismal process regulation of ossification mesenchyme morphogenesis endocardial cushion morphogenesis mesenchyme development endocardial cushion formation tissue morphogenesis endocardial cushion development anatomical structure formation involved in morphogenesis embryo development ending in birth or egg hatching pharyngeal system development chordate embryonic development embryo development in utero embryonic development branching morphogenesis of an epithelial tube angiogenesis tube morphogenesis epithelial tube morphogenesis blood vessel development epithelium development blood vessel morphogenesis tube development morphogenesis of an epithelium vasculature development branching involved in blood vessel morphogenesis morphogenesis of a branching structure morphogenesis of a branching epithelium cellular developmental process cardiac muscle cell fate commitment muscle cell fate commitment muscle cell differentiation striated muscle tissue development muscle structure development cell differentiation cardiac cell fate commitment muscle tissue development cardiac muscle tissue development cardiac muscle cell differentiation cardiocyte differentiation striated muscle cell differentiation cell fate commitment embryonic heart tube development embryonic heart tube morphogenesis embryonic organ development embryonic organ morphogenesis embryonic morphogenesis positive regulation of determination of dorsal identity regulation of determination of dorsal identity determination of bilateral symmetry determination of dorsal/ventral asymmetry determination of dorsal identity specification of symmetry regulation of programmed cell death extrinsic apoptotic signaling pathway negative regulation of extrinsic apoptotic signaling pathway negative regulation of apoptotic signaling pathway negative regulation of programmed cell death regulation of apoptotic process cell death regulation of extrinsic apoptotic signaling pathway apoptotic signaling pathway negative regulation of apoptotic process apoptotic process programmed cell death regulation of apoptotic signaling pathway atrioventricular valve development heart valve development mitral valve morphogenesis heart valve morphogenesis mitral valve development atrioventricular valve morphogenesis positive regulation of DNA-templated transcription cellular biosynthetic process RNA metabolic process positive regulation of cellular metabolic process positive regulation of macromolecule biosynthetic process regulation of primary metabolic process nucleobase-containing compound metabolic process RNA biosynthetic process nucleic acid biosynthetic process positive regulation of metabolic process DNA-templated transcription regulation of RNA metabolic process transcription by RNA polymerase II positive regulation of biosynthetic process positive regulation of macromolecule 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 positive regulation of nucleobase-containing compound metabolic process cellular metabolic process primary metabolic process regulation of cellular metabolic process regulation of macromolecule metabolic process positive regulation of transcription by RNA polymerase II nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process regulation of cellular biosynthetic process positive regulation of RNA metabolic process regulation of gene expression biosynthetic process positive regulation of RNA biosynthetic process metabolic process regulation of macromolecule biosynthetic process macromolecule metabolic process regulation of DNA-templated transcription regulation of metabolic process positive regulation of cellular biosynthetic process cellular response to growth factor stimulus cellular response to transforming growth factor beta stimulus response to endogenous stimulus cellular response to endogenous stimulus response to transforming growth factor beta transforming growth factor beta receptor signaling pathway response to growth factor formation of primary germ layer mesoderm morphogenesis gastrulation mesoderm formation mesoderm development cell adhesion cell-cell adhesion cell-cell adhesion via plasma-membrane adhesion molecules endocardial cushion fusion cell adhesion involved in heart morphogenesis endothelial cell fate commitment endocardial cell fate commitment endothelium development endocardial cushion cell fate commitment cardiac endothelial cell differentiation epithelial cell fate commitment endocardium development epithelial cell differentiation endothelial cell differentiation endocardial cushion cell differentiation endocardial cell differentiation cellular response to BMP stimulus response to BMP BMP signaling pathway gastrulation with mouth forming second sexual reproduction reproductive process multicellular organismal reproductive process cell development cellular process involved in reproduction in multicellular organism developmental process involved in reproduction gamete generation germ cell development defense response response to stress inflammatory response acute inflammatory response stem cell development neural crest cell differentiation neural crest cell development mesenchymal cell migration stem cell differentiation ameboidal-type cell migration cell migration mesenchymal cell differentiation cell motility neural crest cell migration regulation of epithelial to mesenchymal transition positive regulation of cardiac epithelial to mesenchymal transition positive regulation of epithelial to mesenchymal transition regulation of cell differentiation positive regulation of cell differentiation cardiac epithelial to mesenchymal transition regulation of cardiac epithelial to mesenchymal transition epithelial to mesenchymal transition determination of left/right symmetry left/right pattern formation regulation of cell cycle phase transition negative regulation of cell cycle cell cycle phase transition regulation of cell cycle G1/S phase transition cell cycle G1/S phase transition mitotic cell cycle negative regulation of mitotic cell cycle regulation of mitotic cell cycle negative regulation of cell cycle phase transition cell cycle regulation of cell cycle cell cycle process negative regulation of G1/S transition of mitotic cell cycle negative regulation of mitotic cell cycle phase transition regulation of cell cycle process negative regulation of cell cycle G1/S phase transition negative regulation of cell cycle process regulation of mitotic cell cycle phase transition mitotic cell cycle process regulation of G1/S transition of mitotic cell cycle G1/S transition of mitotic cell cycle mitotic cell cycle phase transition regulation of osteoblast differentiation osteoblast differentiation positive regulation of osteoblast differentiation positive regulation of locomotion regulation of cell motility positive regulation of cell migration regulation of locomotion positive regulation of cell motility regulation of cell migration locomotion smooth muscle cell differentiation cardiac atrium morphogenesis septum primum development atrial septum primum morphogenesis cardiac atrium development atrial septum morphogenesis atrial septum development regulation of protein modification process positive regulation of phosphorylation regulation of protein phosphorylation positive regulation of protein metabolic process peptidyl-tyrosine modification positive regulation of phosphate metabolic process positive regulation of peptidyl-tyrosine phosphorylation positive regulation of protein modification process regulation of phosphate metabolic process peptidyl-amino acid modification phosphate-containing compound metabolic process protein metabolic process protein modification process phosphorus metabolic process positive regulation of protein phosphorylation protein phosphorylation positive regulation of phosphorus metabolic process phosphorylation regulation of protein metabolic process regulation of peptidyl-tyrosine phosphorylation macromolecule modification regulation of phosphorylation regulation of phosphorus metabolic process peptidyl-tyrosine phosphorylation	apical part of cell cellular anatomical entity cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane plasma membrane signaling receptor complex membrane protein complex BMP receptor complex receptor complex catalytic complex transferase complex protein kinase complex apical part of cell cellular anatomical entity cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane plasma membrane signaling receptor complex membrane protein complex BMP receptor complex receptor complex catalytic complex transferase complex protein kinase complex transferase complex, transferring phosphorus-containing groups serine/threonine protein kinase complex activin receptor complex

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR000472	Activin types I and II receptor domain	Domain
A, B, C, D	IPR000719	Protein kinase domain	Domain
A, B, C, D	IPR003605	GS domain	Domain
A, B, C, D	IPR000333	Ser/Thr protein kinase, TGFB receptor	Family
A, B, C, D	IPR017441	Protein kinase, ATP binding site	Binding Site
A, B, C, D	IPR045860	Snake toxin-like superfamily	Homologous Superfamily
A, B, C, D	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR008271	Serine/threonine-protein kinase, active site	Active Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: Q04771	fibrodysplasia ossificans progressiva malignant glioma juvenile pilocytic astrocytoma acute lung injury protoplasmic astrocytoma fibrillary astrocytoma mixed glioma myositis ossificans anaplastic astrocytoma pilocytic astrocytoma childhood cerebral astrocytoma astrocytic tumor breast carcinoma subependymal giant cell astrocytoma gemistocytic astrocytoma fibrodysplasia ossificans progressiva malignant glioma juvenile pilocytic astrocytoma acute lung injury protoplasmic astrocytoma fibrillary astrocytoma mixed glioma myositis ossificans anaplastic astrocytoma pilocytic astrocytoma childhood cerebral astrocytoma astrocytic tumor breast carcinoma subependymal giant cell astrocytoma gemistocytic astrocytoma Mammary Neoplasms melanoma myopathy ovarian cancer astrocytoma (excluding glioblastoma) cerebral astrocytoma ulcerative colitis diffuse astrocytoma glioma intellectual disability breast cancer psoriasis Ehlers-Danlos syndrome medulloblastoma osteosarcoma primary myelofibrosis facioscapulohumeral muscular dystrophy IgA glomerulonephritis

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.