Receptor
PDB id Resolution Class Description Source Keywords
1ITW 1.95 Å EC: 1.1.1.42 CRYSTAL STRUCTURE OF THE MONOMERIC ISOCITRATE DEHYDROGENASE WITH ISOCITRATE AND MN AZOTOBACTER VINELANDII GREECE KEY MOTIF OXIDOREDUCTASE
Ref.: STRUCTURE OF THE MONOMERIC ISOCITRATE DEHYDROGENASE EVIDENCE OF A PROTEIN MONOMERIZATION BY A DOMAIN DU STRUCTURE V. 10 1637 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ICT A:743;
B:744;
C:743;
D:743;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C([C@...
MN A:742;
B:742;
B:743;
C:742;
D:742;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ITW 1.95 Å EC: 1.1.1.42 CRYSTAL STRUCTURE OF THE MONOMERIC ISOCITRATE DEHYDROGENASE WITH ISOCITRATE AND MN AZOTOBACTER VINELANDII GREECE KEY MOTIF OXIDOREDUCTASE
Ref.: STRUCTURE OF THE MONOMERIC ISOCITRATE DEHYDROGENASE EVIDENCE OF A PROTEIN MONOMERIZATION BY A DOMAIN DU STRUCTURE V. 10 1637 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1ITW - ICT C6 H8 O7 C([C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3MBC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1ITW - ICT C6 H8 O7 C([C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3MBC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1ITW - ICT C6 H8 O7 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ICT; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 ICT 1 1
2 DMR 0.444444 0.904762
3 LMR 0.444444 0.904762
4 MLT 0.444444 0.904762
5 3HG 0.423077 0.772727
6 TLA 0.416667 0.727273
7 SRT 0.416667 0.727273
8 TAR 0.416667 0.727273
9 3HR 0.407407 0.608696
10 3HL 0.407407 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ITW; Ligand: ICT; 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: 1itw.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ITW; Ligand: ICT; 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: 1itw.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ITW; Ligand: ICT; 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: 1itw.bio4) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ITW; Ligand: ICT; 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: 1itw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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