Receptor
PDB id Resolution Class Description Source Keywords
1FBO 2.3 Å EC: 3.2.1.4 CRYSTAL STRUCTURE OF THE CELLULASE CEL48F FROM C. CELLULOLYT COMPLEX WITH CELLOBIITOL CLOSTRIDIUM CELLULOLYTICUM CELLULASE PROTEIN-CELLOBIITOL COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF THE CELLULASE CEL48F IN COMPL INHIBITORS AND SUBSTRATES GIVE INSIGHTS INTO ITS PR ACTION BIOCHEMISTRY V. 39 11238 2000
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...
GLO GLC B:1;
Valid;
none;
submit data
344.313 n/a O(C(C...
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: GLO GLC; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GLO GLC 1 1
2 CEZ 0.722222 0.939394
3 SOR GLC GLC 0.706897 0.911765
4 GLO BGC 0.703704 0.96875
5 GCO GAL 0.690909 0.911765
6 OTU 0.533333 0.96875
7 GLO GLC GLC 0.521739 0.885714
8 2M8 0.518519 0.909091
9 GLO GLC GLC GLC 0.507042 0.885714
10 GLC BGC BGC 0.463768 0.885714
11 GYP 0.44 0.909091
12 AMG 0.44 0.909091
13 MMA 0.44 0.909091
14 MBG 0.44 0.909091
15 RGG 0.428571 1
16 J5B 0.40678 0.885714
17 EBQ 0.40678 0.885714
Similar Ligands (3D)
Ligand no: 1; Ligand: GLO GLC; Similar ligands found: 1
No: Ligand Similarity coefficient
1 N8M 0.8566
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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