Receptor
PDB id Resolution Class Description Source Keywords
1ADO 1.9 Å EC: 4.1.2.13 FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE ORYCTOLAGUS CUNICULUS ALDOLASE LYASE (ALDEHYDE) SCHIFF BASE GLYCOLYSIS
Ref.: PRODUCT BINDING AND ROLE OF THE C-TERMINAL REGION IN CLASS I D-FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE. NAT.STRUCT.BIOL. V. 4 36 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1104;
B:1053;
Valid;
Valid;
none;
none;
Kd ~ 1 uM
170.058 C3 H7 O6 P C(C(=...
SO4 C:1326;
D:1261;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ADO 1.9 Å EC: 4.1.2.13 FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE ORYCTOLAGUS CUNICULUS ALDOLASE LYASE (ALDEHYDE) SCHIFF BASE GLYCOLYSIS
Ref.: PRODUCT BINDING AND ROLE OF THE C-TERMINAL REGION IN CLASS I D-FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE. NAT.STRUCT.BIOL. V. 4 36 1997
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
2 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
3 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
4 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
5 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
2 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
3 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
4 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
5 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
6 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
2 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
3 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
4 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
5 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
6 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
7 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ADO; Ligand: 13P; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 1ado.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z44 FMN 0.01868 0.40082 1.47929
2 1HSR BHO 0.01689 0.4171 2.03488
3 1TB3 FMN 0.004816 0.40458 2.84091
4 4NAE 1GP 0.006487 0.43739 3.11111
5 4V15 PLP 0.003671 0.43877 3.30579
6 3NZ1 3NY 0.01297 0.42488 3.83142
7 2Q3O FMN 0.0009327 0.42308 3.85675
8 4A3U FMN 0.001952 0.40025 3.91061
9 3GLC R5P 0.00007908 0.42374 4.0678
10 4Q4K FMN 0.002934 0.40743 4.20168
11 4XZ3 ACP 0.01401 0.42306 4.78261
12 4UP4 NDG 0.007685 0.44738 4.95868
13 2Z6I FMN 0.003693 0.41243 5.12048
14 3SHR CMP 0.02579 0.40113 5.23416
15 4RQL SNE 0.0303 0.40137 5.50964
16 3BW2 FMN 0.004644 0.40521 5.78512
17 1J78 OLA 0.01176 0.43543 7.7135
18 3WQD PLP 999 0.01039 0.40588 8.26446
Pocket No.: 2; Query (leader) PDB : 1ADO; Ligand: 13P; 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: 1ado.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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