Receptor
PDB id Resolution Class Description Source Keywords
1JS3 2.25 Å EC: 4.1.1.28 CRYSTAL STRUCTURE OF DOPA DECARBOXYLASE IN COMPLEX WITH THE CARBIDOPA SUS SCROFA DOPA DECARBOXYLASE CARBIDOPA PARKINSON-prime S DISEASE VITAMIN
Ref.: STRUCTURAL INSIGHT INTO PARKINSON'S DISEASE TREATME DRUG-INHIBITED DOPA DECARBOXYLASE. NAT.STRUCT.BIOL. V. 8 963 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP 142 A:601;
B:602;
 Valid;
Valid;
 none;
none;
 submit data
452.336 n/a P(=O)...
SO4 A:802;
A:803;
B:801;
B:804;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JS3 2.25 Å EC: 4.1.1.28 CRYSTAL STRUCTURE OF DOPA DECARBOXYLASE IN COMPLEX WITH THE CARBIDOPA SUS SCROFA DOPA DECARBOXYLASE CARBIDOPA PARKINSON-prime S DISEASE VITAMIN
Ref.: STRUCTURAL INSIGHT INTO PARKINSON'S DISEASE TREATME DRUG-INHIBITED DOPA DECARBOXYLASE. NAT.STRUCT.BIOL. V. 8 963 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JS3 - PLP 142 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JS3 - PLP 142 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 1 families.
1 1JS3 - PLP 142 n/a n/a
2 4E1O - PLP PVH n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLP 142; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 142 1 1
2 GLY PLP 0.5 0.75
3 SER PLP 0.494624 0.78125
4 PLP ALO 0.489362 0.793651
5 PLP 999 0.484211 0.793651
6 PLP ABU 0.484211 0.742424
7 PLP PHE 0.470588 0.822581
8 PLP PUT 0.447917 0.710145
9 FEV 0.416667 0.720588
10 PLP PVH 0.412844 0.746479
11 0JO 0.410526 0.720588
12 4LM 0.410526 0.731343
13 PLP MYB 0.407407 0.702703
14 PL6 0.4 0.757576
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP 142; 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 : 1JS3; Ligand: PLP 142; 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: 1js3.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JS3; Ligand: PLP 142; 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: 1js3.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback