Receptor
PDB id Resolution Class Description Source Keywords
3TY3 1.85 Å EC: 1.1.1.87 CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE FROM SCHIZOSACCHAROMYCES POMBE BOUND TO GLYCYL-GLYCYL-GLYCINE SCHIZOSACCHAROMYCES POMBE B-HYDROXYACID OXIDATIVE DECARBOXYLASE AMINO-ACID BIOSYNTHESLYSINE BIOSYNTHESIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE F SCHIZOSACCHAROMYCES POMBE. PROTEINS V. 80 661 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GGG A:363;
B:363;
Valid;
Valid;
none;
none;
submit data
189.169 C6 H11 N3 O4 C(C(=...
GOL A:364;
A:3968;
A:3969;
B:364;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TY3 1.85 Å EC: 1.1.1.87 CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE FROM SCHIZOSACCHAROMYCES POMBE BOUND TO GLYCYL-GLYCYL-GLYCINE SCHIZOSACCHAROMYCES POMBE B-HYDROXYACID OXIDATIVE DECARBOXYLASE AMINO-ACID BIOSYNTHESLYSINE BIOSYNTHESIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE F SCHIZOSACCHAROMYCES POMBE. PROTEINS V. 80 661 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
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 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Y1P - IPM C7 H12 O5 CC(C)[C@@H....
2 1A05 - IPM C7 H12 O5 CC(C)[C@@H....
3 5J32 Kd = 8.3 uM IPM C7 H12 O5 CC(C)[C@@H....
4 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
5 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
7 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 5HN6 - IPM C7 H12 O5 CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GGG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GGG 1 1
2 4SQ 0.416667 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TY3; Ligand: GGG; 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: 3ty3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TY3; Ligand: GGG; 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: 3ty3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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