Receptor
PDB id Resolution Class Description Source Keywords
2V8M 2.3 Å EC: 3.2.1.3 CARBOHYDRATE-BINDING OF THE STARCH BINDING DOMAIN OF RHIZOPU GLUCOAMYLASE IN COMPLEX WITH BETA-CYCLODEXTRIN AND MALTOHEP RHIZOPUS ORYZAE HYDROLASE CARBOHYDRATE BINDING
Ref.: CRYSTAL STRUCTURES OF THE STARCH-BINDING DOMAIN FRO RHIZOPUS ORYZAE GLUCOAMYLASE REVEAL A POLYSACCHARID PATH. BIOCHEM.J. V. 416 27 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC GLC H:1;
E:1;
G:1;
F:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
1134.99 n/a OCC1O...
SO4 A:1117;
B:1117;
B:1118;
C:1110;
D:1111;
D:1112;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V8L 1.8 Å EC: 3.2.1.3 CARBOHYDRATE-BINDING OF THE STARCH BINDING DOMAIN OF RHIZOPU GLUCOAMYLASE IN COMPLEX WITH BETA-CYCLODEXTRIN AND MALTOHEP RHIZOPUS ORYZAE HYDROLASE CARBOHYDRATE BINDING
Ref.: CRYSTAL STRUCTURES OF THE STARCH-BINDING DOMAIN FRO RHIZOPUS ORYZAE GLUCOAMYLASE REVEAL A POLYSACCHARID PATH. BIOCHEM.J. V. 416 27 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - 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 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - 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 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - GLC GLC GLC GLC 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
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V8L; Ligand: GLC 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: 1) in the query (biounit: 2v8l.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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