Receptor
PDB id Resolution Class Description Source Keywords
2O67 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA PII BOUND TO MALONATE ARABIDOPSIS THALIANA REGULATION OF NITROGEN AND CARBON METABOLISM BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF ARABIDOPSIS PII REVEALS NOVEL STRUCTURAL ELEMENTS UNIQUE TO PLANTS. BIOCHEMISTRY V. 46 1477 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI B:135;
B:136;
C:135;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2O66 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA PII BOUND TO CITRATE ARABIDOPSIS THALIANA REGULATION OF NITROGEN AND CARBON METABOLISM BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF ARABIDOPSIS PII REVEALS NOVEL STRUCTURAL ELEMENTS UNIQUE TO PLANTS. BIOCHEMISTRY V. 46 1477 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
2 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
2 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
9 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
10 3TA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 3NCR - ADP MG n/a n/a
16 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
18 4OZJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
21 4USI ic50 = 1.18 mM AKG C5 H6 O5 C(CC(=O)O)....
22 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1V3S - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1V9O - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
28 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2O66; Ligand: FLC; 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: 2o66.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2O66; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2o66.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2O66; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2o66.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2O66; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2o66.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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