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Receptor
PDB id Resolution Class Description Source Keywords
4FUA 2.43 Å EC: 4.1.2.17 L-FUCULOSE-1-PHOSPHATE ALDOLASE COMPLEX WITH PGH ESCHERICHIA COLI CLASS II ALDOLASE ZINC ENZYME HYDROLASE LYASE (ALDEHYDE)
Ref.: CATALYTIC MECHANISM OF THE METAL-DEPENDENT FUCULOSE FROM ESCHERICHIA COLI AS DERIVED FROM THE STRUCTURE J.MOL.BIOL. V. 259 458 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:301;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
PGH A:217;
Valid;
none;
Ki = 4 uM
171.046 C2 H6 N O6 P C(C(=...
SO4 A:300;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
ZN A:216;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FUA 2.43 Å EC: 4.1.2.17 L-FUCULOSE-1-PHOSPHATE ALDOLASE COMPLEX WITH PGH ESCHERICHIA COLI CLASS II ALDOLASE ZINC ENZYME HYDROLASE LYASE (ALDEHYDE)
Ref.: CATALYTIC MECHANISM OF THE METAL-DEPENDENT FUCULOSE FROM ESCHERICHIA COLI AS DERIVED FROM THE STRUCTURE J.MOL.BIOL. V. 259 458 1996
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
2 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
3 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
2 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
3 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
2 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
3 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
4 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PGH 1 1
2 PGA 0.482759 0.651163
3 PAH 0.433333 0.844444
4 13P 0.424242 0.622222
5 HPV 0.424242 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: 32
This union binding pocket(no: 1) in the query (biounit: 4fua.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4U5X GNP 1.68539
2 2VVL FAD 1.86047
3 5BSH PRO 1.86047
4 3MKH FAD 2.32558
5 2UVO NAG 2.92398
6 4YNU FAD 3.25581
7 2ZXI FAD 3.25581
8 4ISS TAR 3.72093
9 6F5W KG1 3.72093
10 5H9Y BGC BGC BGC BGC 4.18605
11 5Z99 SLB 4.18605
12 1G4U AF3 4.65116
13 1RIW OSC 4.7619
14 1EP2 ORO 5.11628
15 4UTG ANP 5.11628
16 1U1I NAD 5.11628
17 1DL5 SAH 5.5814
18 5I0H ADP BEF 5.5814
19 2IXB NAD 5.5814
20 2VBU CDP 5.88235
21 1OIX GDP 6.28272
22 1ZC3 GNP 6.28571
23 4TO8 FLC 6.97674
24 2HV8 GTP 6.97674
25 5YFT RI2 6.97674
26 2D7C GTP 7.18563
27 5NUF NAD 7.44186
28 5J6Y GLC 7.44681
29 5J6Y BGC 7.44681
30 4C4P GNP 7.47664
31 2FWP ICR 7.65027
32 5ITZ GDP 10.2362
Pocket No.: 2; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4FUA; Ligand: PGH; 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: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q9T FAY 2.7907
2 4YRY FAD 5.5814
Pocket No.: 12; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 4FUA; Ligand: PGH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 4fua.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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