Receptor
PDB id Resolution Class Description Source Keywords
2D0H 2.1 Å EC: 3.2.1.1 CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-A (TVAI) MUTANT D356N/E396Q COMPLEXED WITH P2, A PULLULAN MODO LIGOSACCHARIDE THERMOACTINOMYCES VULGARIS ALPHA-AMYLASE HYDROLASE
Ref.: COMPLEXES OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AND PULLULAN MODEL OLIGOSSACHARIDES PROVIDE NEW INS THE MECHANISM FOR RECOGNIZING SUBSTRATES WITH ALPHA GLYCOSIDIC LINKAGES FEBS J. V. 272 6145 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:2001;
A:2002;
A:2003;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
GLC GLC GLC GLC GLC GLC B:1;
 Valid;
 none;
 submit data
972.846 n/a OCC1O...
MPD A:1001;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UH4 1.8 Å EC: 3.2.1.1 THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 1/MALTO-TRIDEC COMPLEX THERMOACTINOMYCES VULGARIS STARCH BINDING DOMAIN HYDROLASE
Ref.: COMPLEX STRUCTURES OF THERMOACTINOMYCES VULGARIS R-ALPHA-AMYLASE 1 WITH MALTO-OLIGOSACCHARIDES DEMONST ROLE OF DOMAIN N ACTING AS A STARCH-BINDING DOMAIN J.MOL.BIOL. V. 335 811 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - BGC GLC GLC GLC GLC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - BGC GLC GLC GLC GLC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - BGC GLC GLC GLC GLC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 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
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand Similarity coefficient
1 BGC BGC BGC BGC BGC BGC 0.9686
2 GLC AC1 GLC AC1 0.9208
3 BGC AC1 GLC AC1 0.9117
4 BGC G6D GLC ACI GLD ACI 0.8960
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UH4; Ligand: GLC BGC BGC; 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: 1uh4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UH4; 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: 1uh4.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC 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: 3) in the query (biounit: 1uh4.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC GLC 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: 4) in the query (biounit: 1uh4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 1uh4.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6A0J GLC GLC GLC GLC 45.8599
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