Receptor
PDB id Resolution Class Description Source Keywords
1BYB 1.9 Å EC: 3.2.1.2 CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE C ATALYSIS GLYCINE MAX HYDROLASE(O-GLYCOSYL)
Ref.: CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND APPARENT ROLES IN CATALYSIS. BIOCHEMISTRY V. 33 7779 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC B:1;
 Valid;
 none;
 submit data
648.564 n/a OCC1O...
SO4 A:860;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q6D 2 Å EC: 3.2.1.2 CRYSTAL STRUCTURE OF SOYBEAN BETA-AMYLASE MUTANT (M51T) WITH PH OPTIMUM GLYCINE MAX BETA-ALPHA-BARRELS BETA-AMYLASE MALTOSE COMPLEX INCREASEDOPTIMUM HYDROLASE
Ref.: STRUCTURAL AND ENZYMATIC ANALYSIS OF SOYBEAN {BETA} MUTANTS WITH INCREASED PH OPTIMUM J.BIOL.CHEM. V. 279 7287 2004
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - BGC GLC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - BGC GLC GLC GLC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - RR7 GLC n/a n/a
7 1Q6E Kd = 2.4 mM GLC GLC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM GLC GLC n/a n/a
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM GLC GLC GLC GLC n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - BGC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - BGC GLC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - BGC GLC GLC GLC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - RR7 GLC n/a n/a
7 1Q6E Kd = 2.4 mM GLC GLC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM GLC GLC n/a n/a
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM GLC GLC GLC GLC n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - BGC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
16 2XFF - BGC GLC AC1 n/a n/a
17 2XGI - J5B C10 H20 O7 C[C@H](CCO....
18 2XFY - GLC GLC GLC GLC GLC GLC n/a n/a
19 2XG9 Ki = 70 uM NOJ GLC n/a n/a
20 1B1Y - BGC GLC n/a n/a
21 5WQU - GLC GLC GLC GLC n/a n/a
22 1FA2 - RR7 GLC n/a n/a
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - BGC GLC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - BGC GLC GLC GLC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - RR7 GLC n/a n/a
7 1Q6E Kd = 2.4 mM GLC GLC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM GLC GLC n/a n/a
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM GLC GLC GLC GLC n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - BGC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
16 2XFF - BGC GLC AC1 n/a n/a
17 2XGI - J5B C10 H20 O7 C[C@H](CCO....
18 2XFY - GLC GLC GLC GLC GLC GLC n/a n/a
19 2XG9 Ki = 70 uM NOJ GLC n/a n/a
20 1B1Y - BGC GLC n/a n/a
21 5WQU - GLC GLC GLC GLC n/a n/a
22 1FA2 - RR7 GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
3 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 4PW 0.5 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 BGC GLC GLC GLC 0.9840
2 GLC GLC AC1 0.9642
3 GLC G6D ADH GLC 0.9064
4 GLC GAL GLD ACI 0.9008
5 GLC G6D ACI GLC 0.8960
6 BGC GLC AC1 0.8951
7 GLC GLC DAF 0.8904
8 GLO GLC GLC GLC 0.8881
9 GLC GLC GLC BGC 0.8817
10 SOR GLC GLC GLC 0.8761
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q6D; Ligand: GLC 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: 1q6d.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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