Receptor
PDB id Resolution Class Description Source Keywords
1WPY 1.6 Å EC: 6.3.4.15 CRYSTAL STRUCTURE OF BIOTIN-(ACETYL-COA-CARBOXYLASE) LIGASE PYROCOCCUS HORIKOSHII OT3 IN COMPLEX WITH BIOTIN PYROCOCCUS HORIKOSHII BIOTIN DIMER STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGASE
Ref.: CRYSTAL STRUCTURES OF BIOTIN PROTEIN LIGASE FROM PY HORIKOSHII OT3 AND ITS COMPLEXES: STRUCTURAL BASIS ACTIVATION J.MOL.BIOL. V. 353 322 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:1301;
B:1302;
 Valid;
Valid;
 none;
none;
 submit data
244.311 C10 H16 N2 O3 S C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WPY 1.6 Å EC: 6.3.4.15 CRYSTAL STRUCTURE OF BIOTIN-(ACETYL-COA-CARBOXYLASE) LIGASE PYROCOCCUS HORIKOSHII OT3 IN COMPLEX WITH BIOTIN PYROCOCCUS HORIKOSHII BIOTIN DIMER STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIGASE
Ref.: CRYSTAL STRUCTURES OF BIOTIN PROTEIN LIGASE FROM PY HORIKOSHII OT3 AND ITS COMPLEXES: STRUCTURAL BASIS ACTIVATION J.MOL.BIOL. V. 353 322 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1WPY - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 2EJF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1WPY - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 2EJF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1WPY - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 2EJF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WPY; Ligand: BTN; 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: 1wpy.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WPY; Ligand: BTN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1wpy.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback