Receptor
PDB id Resolution Class Description Source Keywords
3H9R 2.35 Å EC: 2.7.11.30 CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF TYPE I ACTIVIN REC (ACVR1) IN COMPLEX WITH FKBP12 AND DORSOMORPHIN HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC ATBINDING DISEASE MUTATION GLYCOPROTEIN KINASE MAGNESIUMMANGANESE MEMBRANE METAL-BINDING NUCLEOTIDE-BINDING PHOSPHOPROTEIN RECEPTOR SERINE/THREONINE-PROTEIN KINASE TRANSFERASE TRANSMEMBRANE ISOMERASE ROTAMASE ISOMERASE-KINASE COMPLEX
Ref.: STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTO AND IMPLICATIONS FOR FIBRODYSPLASIA OSSIFICANS PROG J.BIOL.CHEM. V. 287 36990 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 A:6;
A:7;
A:8;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
SO4 A:2;
A:3;
A:4;
A:5;
A:500;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
TAK A:1;
 Valid;
 none;
 submit data
399.488 C24 H25 N5 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H9R 2.35 Å EC: 2.7.11.30 CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF TYPE I ACTIVIN REC (ACVR1) IN COMPLEX WITH FKBP12 AND DORSOMORPHIN HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC ATBINDING DISEASE MUTATION GLYCOPROTEIN KINASE MAGNESIUMMANGANESE MEMBRANE METAL-BINDING NUCLEOTIDE-BINDING PHOSPHOPROTEIN RECEPTOR SERINE/THREONINE-PROTEIN KINASE TRANSFERASE TRANSMEMBRANE ISOMERASE ROTAMASE ISOMERASE-KINASE COMPLEX
Ref.: STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTO AND IMPLICATIONS FOR FIBRODYSPLASIA OSSIFICANS PROG J.BIOL.CHEM. V. 287 36990 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3H9R - TAK C24 H25 N5 O c1cc(ccc1c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3H9R - TAK C24 H25 N5 O c1cc(ccc1c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3H9R - TAK C24 H25 N5 O c1cc(ccc1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TAK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TAK 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TAK; Similar ligands found: 1
No: Ligand Similarity coefficient
1 45Q 0.8793
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H9R; Ligand: TAK; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 3h9r.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4WHZ 3NL 28.4848
2 2BPM 529 29.4498
3 2BPM 529 29.4498
4 5UIU 8CG 32.5077
5 5UIU 8CG 32.5077
6 6X3N ULV 36.9004
7 6X3N 5WE 36.9004
8 3IOK 1P6 41.5335
9 5EW9 5VC 41.6974
10 2XVD AS6 46.0265
11 5H2U 1N1 47.5655
12 6GCX EUW 48.1884
13 4RFM 3P6 48.8722
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