Receptor
PDB id Resolution Class Description Source Keywords
3C3D 2.5 Å EC: 2.7.8.- CRYSTAL STRUCTURE OF 2-PHOSPHO-(S)-LACTATE TRANSFERASE FROM METHANOSARCINA MAZEI IN COMPLEX WITH FO AND PHOSPHATE. N ORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MAR46 METHANOSARCINA MAZEI GO1 ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESG MAGNESIUM TRANSFERASE
Ref.: MOLECULAR INSIGHTS INTO THE BIOSYNTHESIS OF THE F420 COENZYME. J.BIOL.CHEM. V. 283 11832 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FO1 A:401;
B:401;
C:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.38 mM
363.322 C16 H17 N3 O7 c1cc2...
PO4 A:402;
B:402;
C:402;
D:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C3D 2.5 Å EC: 2.7.8.- CRYSTAL STRUCTURE OF 2-PHOSPHO-(S)-LACTATE TRANSFERASE FROM METHANOSARCINA MAZEI IN COMPLEX WITH FO AND PHOSPHATE. N ORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MAR46 METHANOSARCINA MAZEI GO1 ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESG MAGNESIUM TRANSFERASE
Ref.: MOLECULAR INSIGHTS INTO THE BIOSYNTHESIS OF THE F420 COENZYME. J.BIOL.CHEM. V. 283 11832 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3C3D Kd = 1.38 mM FO1 C16 H17 N3 O7 c1cc2c(cc1....
70% 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 3C3D Kd = 1.38 mM FO1 C16 H17 N3 O7 c1cc2c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3D Kd = 1.38 mM FO1 C16 H17 N3 O7 c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FO1; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 HDF 1 1
2 FO1 1 1
3 QMD 0.655914 0.866667
4 F42 0.508333 0.833333
5 6J4 0.508333 0.833333
6 9O9 0.494737 0.831169
7 RBF 0.423913 0.871429
Similar Ligands (3D)
Ligand no: 1; Ligand: FO1; Similar ligands found: 24
No: Ligand Similarity coefficient
1 C3F 0.9144
2 E2R 0.9127
3 E2F 0.9095
4 RS3 0.9094
5 NE8 0.9030
6 5UV 0.8982
7 DLZ 0.8975
8 RDL 0.8962
9 5UU 0.8961
10 CF4 0.8948
11 E2L 0.8897
12 C1L 0.8861
13 E2X 0.8846
14 GDW 0.8817
15 Z80 0.8761
16 AFQ 0.8759
17 1VY 0.8731
18 E89 0.8705
19 6FQ 0.8702
20 F7T 0.8686
21 5UX 0.8676
22 NEZ 0.8675
23 1WK 0.8591
24 2Q8 0.8557
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3c3d.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6UW5 FO1 46.6238
2 6UW5 GDP 46.6238
Pocket No.: 2; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3c3d.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6UW5 GDP 46.6238
2 6UW5 FO1 46.6238
Pocket No.: 3; Query (leader) PDB : 3C3D; Ligand: FO1; 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: 3c3d.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3c3d.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6UW5 GDP 46.6238
2 6UW5 FO1 46.6238
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