Receptor
PDB id Resolution Class Description Source Keywords
4BFN 1.32 Å EC: 3.2.1.3 CRYSTAL STRUCTURE OF THE STARCH-BINDING DOMAIN FROM RHIZOPUS GLUCOAMYLASE IN COMPLEX WITH ISOMALTOTETRAOSE RHIZOPUS ORYZAE HYDROLASE CARBOHYDRATE BINDING
Ref.: CRYSTAL STRUCTURES OF STARCH BINDING DOMAIN FROM RH ORYZAE GLUCOAMYLASE IN COMPLEX WITH ISOMALTOOLIGOSA INSIGHTS INTO POLYSACCHARIDE BINDING MECHANISM OF C FAMILY. PROTEINS V. 82 1079 2014
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...
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; 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 : 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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