Receptor
PDB id Resolution Class Description Source Keywords
3LL4 2.49 Å EC: 3.1.3.11 STRUCTURE OF THE H13A MUTANT OF YKR043C IN COMPLEX WITH FRUC BISPHOSPHATE SACCHAROMYCES CEREVISIAE FRUCTOSE-1 6-BISPHOSPHATASE 1 6-FRUCTOSE DIPHOSPHATE (LINFORM) YKR043C SACCHAROMYCES CEREVISIAE METAL-INDEPENDENTSTRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE MCENTER FOR STRUCTURAL GENOMICS MCSG HYDROLASE
Ref.: STRUCTURE AND ACTIVITY OF THE METAL-INDEPENDENT FRUCTOSE-1,6-BISPHOSPHATASE YK23 FROM SACCHAROMYCES CEREVISIAE. J.BIOL.CHEM. V. 285 21049 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2FP A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LL4 2.49 Å EC: 3.1.3.11 STRUCTURE OF THE H13A MUTANT OF YKR043C IN COMPLEX WITH FRUC BISPHOSPHATE SACCHAROMYCES CEREVISIAE FRUCTOSE-1 6-BISPHOSPHATASE 1 6-FRUCTOSE DIPHOSPHATE (LINFORM) YKR043C SACCHAROMYCES CEREVISIAE METAL-INDEPENDENTSTRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE MCENTER FOR STRUCTURAL GENOMICS MCSG HYDROLASE
Ref.: STRUCTURE AND ACTIVITY OF THE METAL-INDEPENDENT FRUCTOSE-1,6-BISPHOSPHATASE YK23 FROM SACCHAROMYCES CEREVISIAE. J.BIOL.CHEM. V. 285 21049 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3LL4 - 2FP C6 H14 O12 P2 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3LL4 - 2FP C6 H14 O12 P2 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3LL4 - 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 RUB 0.634146 0.942857
7 XBP 0.634146 0.942857
8 PA5 0.609756 0.942857
9 R10 0.609756 0.942857
10 I22 0.555556 0.971429
11 PAN 0.555556 0.702128
12 9C2 0.543478 0.6875
13 GOS 0.526316 0.970588
14 M2P 0.526316 0.970588
15 6PG 0.511111 0.942857
16 LG6 0.511111 0.942857
17 HMS 0.5 0.944444
18 5SP 0.5 0.944444
19 5RP 0.5 0.944444
20 KD0 0.479167 0.942857
21 DX5 0.47619 0.888889
22 LX1 0.47619 0.861111
23 LXP 0.47619 0.888889
24 A5P 0.47619 0.888889
25 DEZ 0.465116 0.942857
26 DER 0.465116 0.942857
27 S6P 0.465116 0.914286
28 MRU 0.458333 0.825
29 DXP 0.454545 0.861111
30 DG6 0.444444 0.864865
31 TX4 0.444444 0.659574
32 R52 0.444444 0.970588
33 R5P 0.444444 0.970588
34 HG3 0.435897 0.828571
35 52L 0.431373 0.717391
36 AGP 0.425532 0.744186
37 G6Q 0.425532 0.970588
38 RES 0.425532 0.702128
39 M6R 0.425532 0.744186
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 : 3LL4; Ligand: 2FP; 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: 3ll4.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LL4; Ligand: 2FP; 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: 3ll4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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