Receptor
PDB id Resolution Class Description Source Keywords
1VEM 1.85 Å EC: 3.2.1.2 CRYSTAL STRUCTURE ANALYSIS OF BACILLUS CEREUS BETA-AMYLASE AT THE OPTIMUM PH (6.5) BACILLUS CEREUS BETA-ALPHA-BARRELS OPTIMUM PH HYDROLASE
Ref.: ENGINEERING OF THE PH OPTIMUM OF BACILLUS CEREUS BETA-AMYLASE: CONVERSION OF THE PH OPTIMUM FROM A BACTERIAL TYPE TO A HIGHER-PLANT TYPE BIOCHEMISTRY V. 43 12523 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:930;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC A:900;
A:902;
A:904;
A:906;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
358.296 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VEM 1.85 Å EC: 3.2.1.2 CRYSTAL STRUCTURE ANALYSIS OF BACILLUS CEREUS BETA-AMYLASE AT THE OPTIMUM PH (6.5) BACILLUS CEREUS BETA-ALPHA-BARRELS OPTIMUM PH HYDROLASE
Ref.: ENGINEERING OF THE PH OPTIMUM OF BACILLUS CEREUS BETA-AMYLASE: CONVERSION OF THE PH OPTIMUM FROM A BACTERIAL TYPE TO A HIGHER-PLANT TYPE BIOCHEMISTRY V. 43 12523 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 1vem.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J4D MHF 0.03016 0.41053 1.35659
2 1M21 PHE CSI LEU PHA 0.01355 0.40275 1.59046
3 3CV2 OXL 0.02534 0.40816 1.74419
4 5M42 FMN 0.02119 0.40004 1.79211
5 4WCX ALA 0.03476 0.40634 2.29167
6 4CJN QNZ 0.04899 0.40208 2.90698
7 4YMJ 4EJ 0.03615 0.40735 2.96053
8 2F67 12B 0.02605 0.41329 3.10559
9 4WNP 3RJ 0.02472 0.40009 3.48432
10 5HVJ ANP 0.02159 0.41968 3.49206
11 4TX6 38B 0.02468 0.40719 3.54839
12 4Z28 BTN 0.02565 0.40634 3.73134
13 5TH5 MET 0.04048 0.40437 3.80228
14 1NSZ GLC 0.01694 0.4196 4.03458
15 2O4J VD4 0.004728 0.40221 4.10959
16 3BY9 SIN 0.04563 0.40107 5
17 4AIA ADK 0.01776 0.41594 5.85106
18 1M3U KPL 0.013 0.42558 12.1212
19 3EW2 BTN 0.02321 0.40856 17.7778
20 4UAA 3GK 0.02894 0.40366 21.673
Pocket No.: 2; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1vem.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1vem.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1vem.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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