Receptor
PDB id Resolution Class Description Source Keywords
2QNO 2 Å EC: 3.2.1.4 CRYSTAL STRUCTURE OF THE MUTANT E55Q OF THE CELLULASE CEL48F COMPLEX WITH A THIO-OLIGOSACCHARIDE CLOSTRIDIUM CELLULOLYTICUM CELLULASE THIO-OLIGOSACCHARIDE COMPLEX INACTIVE MUTANT GH48 ALPHA-ALPHA-SIX BARREL CARBOHYDRATE METABOLISM CELLULDEGRADATION GLYCOSIDASE HYDROLASE POLYSACCHARIDE DEGRADA
Ref.: STRUCTURES OF MUTANTS OF CELLULASE CEL48F OF CLOSTR CELLULOLYTICUM IN COMPLEX WITH LONG HEMITHIOCELLOOLIGOSACCHARIDES GIVE RISE TO A NEW VI SUBSTRATE PATHWAY DURING PROCESSIVE ACTION J.MOL.BIOL. V. 375 499 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:2000;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SGC BGC SGC BGC SGC BGC SGC BGC SGC B:1;
Valid;
none;
submit data
1557.62 n/a S(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G9J 1.9 Å EC: 3.2.1.4 X-TAL STRUCTURE OF THE MUTANT E44Q OF THE CELLULASE CEL48F I WITH A THIOOLIGOSACCHARIDE CLOSTRIDIUM CELLULOLYTICUM ALPHA-ALPHA-6-BARREL CELLULASE THIOOLIGOSACCHARIDE HYDROL
Ref.: STRUCTURES OF MUTANTS OF CELLULASE CEL48F OF CLOSTR CELLULOLYTICUM IN COMPLEX WITH LONG HEMITHIOCELLOOLIGOSACCHARIDES GIVE RISE TO A NEW VI SUBSTRATE PATHWAY DURING PROCESSIVE ACTION J.MOL.BIOL. V. 375 499 2008
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1FBO - GLO GLC n/a n/a
2 1F9O - V3P BGC BGC n/a n/a
3 1FAE - GLC GLC n/a n/a
4 1FBW - GLC GLC GLC n/a n/a
5 1FCE - MGL SGC BGC BGC n/a n/a
6 2QNO - SGC BGC SGC BGC SGC BGC SGC BGC SGC n/a n/a
7 1F9D - GLC GLC GLC GLC n/a n/a
8 1G9J - SGC BGC SGC BGC SGC BGC SGC BGC n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1FBO - GLO GLC n/a n/a
2 1F9O - V3P BGC BGC n/a n/a
3 1FAE - GLC GLC n/a n/a
4 1FBW - GLC GLC GLC n/a n/a
5 1FCE - MGL SGC BGC BGC n/a n/a
6 2QNO - SGC BGC SGC BGC SGC BGC SGC BGC SGC n/a n/a
7 1F9D - GLC GLC GLC GLC n/a n/a
8 1G9J - SGC BGC SGC BGC SGC BGC SGC BGC n/a n/a
9 5YJ6 - 33O C26 H54 O14 C(COCCOCCO....
10 1L2A - BGC BGC BGC BGC BGC BGC n/a n/a
11 1L1Y - BGC BGC n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 1FBO - GLO GLC n/a n/a
2 1F9O - V3P BGC BGC n/a n/a
3 1FAE - GLC GLC n/a n/a
4 1FBW - GLC GLC GLC n/a n/a
5 1FCE - MGL SGC BGC BGC n/a n/a
6 2QNO - SGC BGC SGC BGC SGC BGC SGC BGC SGC n/a n/a
7 1F9D - GLC GLC GLC GLC n/a n/a
8 1G9J - SGC BGC SGC BGC SGC BGC SGC BGC n/a n/a
9 4XWM - BGC BGC n/a n/a
10 4FUS - BGC BGC n/a n/a
11 5YJ6 - 33O C26 H54 O14 C(COCCOCCO....
12 1L2A - BGC BGC BGC BGC BGC BGC n/a n/a
13 1L1Y - BGC BGC n/a n/a
14 4JJJ - BGC BGC BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SGC BGC SGC BGC SGC BGC SGC BGC SGC; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 SGC BGC SGC BGC SGC BGC SGC BGC SGC 1 1
2 GS1 SGC BGC SGC 0.767123 1
3 SGC BGC SGC BGC SGC BGC SGC BGC 0.760563 1
4 MGL SGC BGC BGC 0.567901 0.947368
5 GTM BGC BGC 0.556962 0.947368
6 GTM BGC BGC GDA 0.511628 0.765957
7 MGL SGC SGC GLC 0.494118 0.947368
8 MGL SGC 0.486486 0.947368
9 SGC BGC 0.478873 0.972222
10 V3P BGC BGC 0.467391 0.837209
11 SGC SGC BGC 0.453333 0.972222
Similar Ligands (3D)
Ligand no: 1; Ligand: SGC BGC SGC BGC SGC BGC SGC BGC SGC; 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 : 1G9J; Ligand: SGC BGC SGC BGC SGC BGC SGC 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: 1g9j.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
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