Receptor
PDB id Resolution Class Description Source Keywords
1MW0 2.01 Å EC: 2.4.1.4 AMYLOSUCRASE MUTANT E328Q CO-CRYSTALLIZED WITH MALTOHEPTAOSE SOAKED WITH MALTOHEPTAOSE. NEISSERIA POLYSACCHAREA (BETA-ALPHA)8 BARREL PROTEIN-SUGAR COMPLEX TRANSFERASE
Ref.: OLIGOSACCHARIDE AND SUCROSE COMPLEXES OF AMYLOSUCRA STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM. V. 277 47741 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTT A:703;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
GLC GLC GLC GLC GLC GLC GLC B:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
1134.99 n/a OCC1O...
GLC GLC GLC BGC D:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JG9 1.66 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAR COMPLEX WITH D-GLUCOSE NEISSERIA POLYSACCHAREA D-GLUCOSE COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA IN COMPLEX WITH D-GLUCOSE AND THE ACT MUTANT GLU328GLN IN COMPLEX WITH THE NATURAL SUBSTR SUCROSE. BIOCHEMISTRY V. 40 9032 2001
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1MW3 - GLC FRU n/a n/a
2 1MW2 - GLC FRU n/a n/a
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - GLC FRU n/a n/a
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - GLC FRU n/a n/a
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - FRU GLC n/a n/a
10 1MW1 - GLC FRU n/a n/a
11 5N7J - GLC FRU n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1MW3 - GLC FRU n/a n/a
2 1MW2 - GLC FRU n/a n/a
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - GLC FRU n/a n/a
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - GLC FRU n/a n/a
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - FRU GLC n/a n/a
10 1MW1 - GLC FRU n/a n/a
11 5N7J - GLC FRU n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MW3 - GLC FRU n/a n/a
2 1MW2 - GLC FRU n/a n/a
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - GLC FRU n/a n/a
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - GLC FRU n/a n/a
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - FRU GLC n/a n/a
10 1MW1 - GLC FRU n/a n/a
11 5N7J - GLC FRU n/a n/a
12 3CZG - GLC C6 H12 O6 C([C@@H]1[....
13 3CZL - GLC C6 H12 O6 C([C@@H]1[....
14 3UER - GLC FRU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Ligand no: 2; Ligand: GLC GLC GLC BGC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GLC GLC GLC BGC; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GLC GLC GLC BGC 1.0000
2 GLC G6D ADH GLC 0.9034
3 GLC G6D ACI GLC 0.8893
4 BGC GLC AC1 0.8890
5 GLC GLC GLC GLC 0.8817
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JG9; Ligand: GLC; 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: 1jg9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JG9; Ligand: GLC; 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: 1jg9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JG9; Ligand: GLC; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 1jg9.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 3GBE NOJ 15.7706
2 4HPH GLC FRU 16.1002
3 5DO8 BGC 16.5766
4 5DO8 BGC 16.5766
5 5DO8 BGC 16.5766
6 3WY2 BGC 17.1004
7 5WCZ NOJ 17.5768
8 5WCZ NOJ 17.5768
9 2ZID GLC GLC GLC 17.8637
10 2PWG CTS 39.2086
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