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 3 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 3 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 2 families.
1 3C3D Kd = 1.38 mM FO1 C16 H17 N3 O7 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FO1; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FO1 1 1
2 HDF 1 1
3 F42 0.508333 0.833333
4 6J4 0.508333 0.833333
5 RBF 0.423913 0.871429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 3c3d.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OZG SSI 0.008294 0.42965 1.2
2 4Y2H 49K 0.01113 0.43444 1.92926
3 3ACC 5GP 0.01178 0.41218 2.20994
4 4DXJ IPE 0.00853 0.41971 2.2508
5 5KZD RCJ 0.01255 0.40719 2.38908
6 5E72 SAM 0.02055 0.41423 2.89389
7 4EZW ASN ARG LEU LEU LEU THR GLY 0.009555 0.40651 3.65297
8 4CFP NAG AMU NAG AMV 0.04166 0.40144 3.85852
9 5TZ9 7SD 0.01513 0.41185 4.18251
10 3QXV MTX 0.01649 0.40669 4.7619
11 4PFO ADP 0.02161 0.41577 5.46624
12 1E7S NAP 0.04891 0.40958 6.10932
13 3PNL ADP 0.03458 0.40115 7.71704
Pocket No.: 2; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3c3d.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 3c3d.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YVE MBT 0.02163 0.40087 1.62162
2 3OZV ECN 0.01706 0.41527 3.21543
3 2Z48 A2G 0.005449 0.40686 3.85852
4 2OAZ I96 0.03823 0.40213 4.18006
5 4L3L 5FI 0.02884 0.40865 5.26316
Pocket No.: 4; Query (leader) PDB : 3C3D; Ligand: FO1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3c3d.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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