Receptor
PDB id Resolution Class Description Source Keywords
4R74 1.93 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN AFUA FROM ACTIN PLEUROPNEUMONIAE (EXOGENOUS FRUCTOSE-6-PHOSPHATE BOUND) ACTINOBACILLUS PLEUROPNEUMONIAE ABC TRANSPORTER SUGAR TRANSPORTER GLUCOSE-6-PHOSPHATE FRUPHOSPHATE SEDOHEPTULOSE-7-PHOSPHATE TRANSPORT PROTEIN
Ref.: ACTIVE TRANSPORT OF PHOSPHORYLATED CARBOHYDRATES PR INTESTINAL COLONIZATION AND TRANSMISSION OF A BACTE PATHOGEN. PLOS PATHOG. V. 11 05107 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS B:407;
B:405;
B:406;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GOL C:404;
C:402;
A:404;
C:407;
B:403;
C:405;
A:402;
D:403;
B:404;
C:403;
D:405;
D:402;
C:408;
A:405;
C:406;
A:403;
B:402;
D:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
F6P A:401;
D:401;
C:401;
B:401;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Kd = 8 nM
260.136 C6 H13 O9 P C([C@...
MG B:408;
D:407;
D:406;
Invalid;
Invalid;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R74 1.93 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN AFUA FROM ACTIN PLEUROPNEUMONIAE (EXOGENOUS FRUCTOSE-6-PHOSPHATE BOUND) ACTINOBACILLUS PLEUROPNEUMONIAE ABC TRANSPORTER SUGAR TRANSPORTER GLUCOSE-6-PHOSPHATE FRUPHOSPHATE SEDOHEPTULOSE-7-PHOSPHATE TRANSPORT PROTEIN
Ref.: ACTIVE TRANSPORT OF PHOSPHORYLATED CARBOHYDRATES PR INTESTINAL COLONIZATION AND TRANSMISSION OF A BACTE PATHOGEN. PLOS PATHOG. V. 11 05107 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6P; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 F6P 1 1
2 TA6 1 1
3 FBP 0.666667 0.954545
4 AFP 0.666667 0.954545
5 SF9 0.564103 0.744186
6 PSV 0.564103 0.744186
7 LFR 0.564103 0.744186
8 SF6 0.564103 0.744186
9 FRU 0.564103 0.744186
10 FDP 0.55102 0.954545
11 F1X 0.531915 1
12 LBS 0.490566 0.755556
13 FRU FRU 0.490566 0.755556
14 0UB 0.464286 0.755556
15 S7P 0.444444 0.976744
16 AHG 0.431818 0.886364
17 SUP 0.40625 0.913043
18 RP5 0.404255 0.906977
19 HSX 0.404255 0.906977
20 ABF 0.404255 0.906977
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R74; Ligand: F6P; 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: 4r74.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4R74; Ligand: F6P; 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: 4r74.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R74; Ligand: F6P; 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: 4r74.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R74; Ligand: F6P; 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: 4r74.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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