Receptor
PDB id Resolution Class Description Source Keywords
6ALD 2.3 Å EC: 4.1.2.13 RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX ORYCTOLAGUS CUNICULUS ALDOLASE A FRUCTOSE-1 6-BISPHOSPHATE LINEAR HEXOSE MICHAELIS COMPLEX LYASE
Ref.: STRUCTURE OF A FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE LIGANDED TO ITS NATURAL SUBSTRATE IN A CLEAVAGE-DEFECTIVE MUTANT AT 2.3 A(,). BIOCHEMISTRY V. 38 12655 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2FP A:700;
B:700;
Valid;
Valid;
none;
none;
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340.116 C6 H14 O12 P2 C([C@...
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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 10 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 (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
5 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
6 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
7 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
8 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
9 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
10 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2FP; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 P6T 1 1
2 2FP 1 1
3 P6F 1 1
4 F6R 0.7 0.971429
5 TG6 0.7 0.971429
6 XBP 0.634146 0.942857
7 RUB 0.634146 0.942857
8 R10 0.609756 0.942857
9 PA5 0.609756 0.942857
10 PAN 0.555556 0.702128
11 I22 0.555556 0.971429
12 9C2 0.543478 0.6875
13 M2P 0.526316 0.970588
14 GOS 0.526316 0.970588
15 6PG 0.511111 0.942857
16 LG6 0.511111 0.942857
17 5SP 0.5 0.944444
18 HMS 0.5 0.944444
19 5RP 0.5 0.944444
20 KD0 0.479167 0.942857
21 LXP 0.47619 0.888889
22 DX5 0.47619 0.888889
23 A5P 0.47619 0.888889
24 LX1 0.47619 0.861111
25 S6P 0.465116 0.914286
26 DEZ 0.465116 0.942857
27 DER 0.465116 0.942857
28 MRU 0.458333 0.825
29 DXP 0.454545 0.861111
30 R52 0.444444 0.970588
31 R5P 0.444444 0.970588
32 DG6 0.444444 0.864865
33 TX4 0.444444 0.659574
34 HG3 0.435897 0.828571
35 52L 0.431373 0.717391
36 RES 0.425532 0.702128
37 AGP 0.425532 0.744186
38 M6R 0.425532 0.744186
39 G6Q 0.425532 0.970588
40 1NT 0.418182 0.942857
41 4TP 0.413043 0.785714
42 FQ8 0.408163 0.916667
43 LRY 0.407407 0.75
44 H4P 0.403846 0.767442
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ADO; Ligand: 13P; 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: 1ado.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ADO; Ligand: 13P; 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: 1ado.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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