Receptor
PDB id Resolution Class Description Source Keywords
1W8S 1.85 Å EC: 4.1.2.13 THE MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHO ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTICARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANAL REACTION INTERMEDIATES. BIOCHEMISTRY V. 44 4222 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FBP A:270;
B:270;
C:270;
D:270;
E:270;
F:270;
G:270;
H:270;
I:270;
J:270;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
340.116 C6 H14 O12 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W8S 1.85 Å EC: 4.1.2.13 THE MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHO ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTICARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANAL REACTION INTERMEDIATES. BIOCHEMISTRY V. 44 4222 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
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 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FBP; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 AFP 1 1
2 FBP 1 1
3 F1X 0.744186 0.954545
4 F6P 0.666667 0.954545
5 TA6 0.666667 0.954545
6 FDP 0.462963 0.954545
7 QIF 0.461538 0.787234
8 OI7 0.448276 0.976744
9 F1P 0.418182 0.847826
10 AHG 0.404255 0.930233
Similar Ligands (3D)
Ligand no: 1; Ligand: FBP; Similar ligands found: 28
No: Ligand Similarity coefficient
1 IR8 0.9392
2 IR9 0.9305
3 SGN 0.9265
4 RI2 0.9131
5 G16 0.9071
6 GAR 0.8941
7 FDQ 0.8871
8 U5P 0.8856
9 UP6 0.8851
10 RUB 0.8839
11 MGF G6P 0.8813
12 BG6 MGF 0.8805
13 D8X 0.8739
14 362 0.8735
15 PDD 0.8731
16 16G 0.8729
17 G6P MGF 0.8710
18 IRN 0.8692
19 6PG 0.8671
20 4UB 0.8665
21 AMZ 0.8640
22 NGS 0.8626
23 C5P 0.8624
24 UMP 0.8616
25 DCM 0.8593
26 9XZ 0.8586
27 C2R 0.8575
28 AIR 0.8546
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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