Receptor
PDB id Resolution Class Description Source Keywords
4BT9 1.9 Å EC: 1.14.11.2 CRYSTAL STRUCTURE OF THE PEPTIDE(PRO-PRO-GLY)3 BOUND COMPLEX TERMINAL DOMAIN AND PEPTIDE SUBSTRATE BINDING DOMAIN OF PROH YDROXYLASE (RESIDUES 1-238) TYPE I FROM HUMAN HOMO SAPIENS OXIDOREDUCTASE TETRATRICOPEPTIDE REPEAT MOTIF COILED-COILRICH PEPTIDE
Ref.: THE STRUCTURAL MOTIFS FOR SUBSTRATE BINDING AND DIM OF THE ALPHA SUBUNIT OF COLLAGEN PROLYL 4-HYDROXYLA STRUCTURE V. 21 2107 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO GLY PRO PRO GLY PRO PRO GLY C:1;
 Valid;
 none;
 Kd = 143.5 uM
771.873 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BTB 1.9 Å EC: 1.14.11.2 CRYSTAL STRUCTURE OF THE PEPTIDE(PRO)9 BOUND COMPLEX OF N-TE DOMAIN AND PEPTIDE SUBSTRATE BINDING DOMAIN OF PROLYL-4 HYD( RESIDUES 1-238) TYPE I FROM HUMAN HOMO SAPIENS OXIDOREDUCTASE TETRATRICOPEPTIDE REPEAT MOTIF COILED-COILRICH PEPTIDE
Ref.: THE STRUCTURAL MOTIFS FOR SUBSTRATE BINDING AND DIM OF THE ALPHA SUBUNIT OF COLLAGEN PROLYL 4-HYDROXYLA STRUCTURE V. 21 2107 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO PRO GLY PRO PRO GLY PRO PRO GLY; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO GLY PRO PRO GLY PRO PRO GLY 1 1
2 PRO PRO GLY PRO ALA GLY PRO PRO GLY 0.77381 0.943396
3 PRO PRO GLY PRO ARG GLY PRO PRO GLY 0.663265 0.877193
4 PRO PRO GLY PRO GLU GLY PRO PRO GLY 0.623656 0.980392
5 PRO GLY PRO 0.52 0.960784
6 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.460674 0.87037
7 PRO PRO PRO PRO PRO PRO PRO PRO 0.45 0.9
8 PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.45 0.9
9 PRO PRO PRO MET ALA GLY GLY 0.444444 0.847458
10 PRO GLY 0.441176 0.784314
11 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.418367 0.867925
12 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.415842 0.87037
13 PRO GLY PRO LEU PRO ALA 0.41 0.909091
14 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.401869 0.872727
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO GLY PRO PRO GLY PRO PRO GLY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BTB; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4btb.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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