Receptor
PDB id Resolution Class Description Source Keywords
2VQ5 2.09 Å EC: 4.2.1.78 X-RAY STRUCTURE OF NORCOCLAURINE SYNTHASE FROM THALICTRUM FLAVUM IN COMPLEX WITH DOPAMINE AND HYDROXYBENZALDEHYDE THALICTRUM FLAVUM LYASE NORCOCLAURINE SYNTHASE S- NORCOCLAURINE BIOSYNTHESIS DOPAMINE HYDROXYBENZALDEHYDE
Ref.: STRUCTURAL BASIS OF ENZYMATIC S-NORCOCLAURINE BIOSYNTHESIS. J.BIOL.CHEM. V. 284 897 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1198;
A:1199;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:1200;
A:1201;
A:1202;
B:1195;
B:1196;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
HBA A:1203;
B:1198;
Valid;
Valid;
none;
none;
submit data
122.121 C7 H6 O2 c1cc(...
LDP B:1197;
Valid;
none;
submit data
153.178 C8 H11 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VQ5 2.09 Å EC: 4.2.1.78 X-RAY STRUCTURE OF NORCOCLAURINE SYNTHASE FROM THALICTRUM FLAVUM IN COMPLEX WITH DOPAMINE AND HYDROXYBENZALDEHYDE THALICTRUM FLAVUM LYASE NORCOCLAURINE SYNTHASE S- NORCOCLAURINE BIOSYNTHESIS DOPAMINE HYDROXYBENZALDEHYDE
Ref.: STRUCTURAL BASIS OF ENZYMATIC S-NORCOCLAURINE BIOSYNTHESIS. J.BIOL.CHEM. V. 284 897 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VQ5 - HBA C7 H6 O2 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 1 families.
1 2VQ5 - HBA C7 H6 O2 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 1 families.
1 2VQ5 - HBA C7 H6 O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HBA 1 1
2 4VP 0.481481 0.733333
3 HQE 0.428571 0.857143
4 EN1 0.411765 0.619048
5 HC4 0.411765 0.764706
Ligand no: 2; Ligand: LDP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 LDP 1 1
2 AEH 0.512821 0.757576
3 AED 0.408163 0.742857
4 AEF 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VQ5; Ligand: LDP; 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: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VQ5; Ligand: LDP; 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: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2vq5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2vq5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback