Receptor
PDB id Resolution Class Description Source Keywords
1CEL 1.8 Å EC: 3.2.1.91 THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATALYTIC COR CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI TRICHODERMA REESEI HYDROLASE(O-GLYCOSYL)
Ref.: THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATA CORE OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI SCIENCE V. 265 524 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC IBZ A:437;
 Valid;
 none;
 submit data
n/a n/a
CA A:440;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GLC IBZ B:437;
 Valid;
 none;
 submit data
n/a n/a
NAG A:435;
B:435;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CEL 1.8 Å EC: 3.2.1.91 THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATALYTIC COR CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI TRICHODERMA REESEI HYDROLASE(O-GLYCOSYL)
Ref.: THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATA CORE OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI SCIENCE V. 265 524 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1CEL - GLC IBZ n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1CEL - GLC IBZ n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1CEL - GLC IBZ n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC IBZ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC IBZ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC IBZ; Similar ligands found: 21
No: Ligand Similarity coefficient
1 BGC IBZ 1.0000
2 GLC IBZ 0.9985
3 AEY 0.9081
4 OAK 0.9004
5 M08 0.8999
6 TH1 0.8990
7 NW1 0.8950
8 UAY 0.8858
9 S13 0.8842
10 CMG 0.8827
11 IDD 0.8827
12 EDZ 0.8782
13 EMU 0.8715
14 DL6 0.8705
15 LI4 0.8704
16 AIQ 0.8623
17 4YC 0.8622
18 UN4 0.8610
19 NAB 0.8602
20 JZR 0.8587
21 T5J 0.8573
Ligand no: 2; Ligand: GLC IBZ; Similar ligands found: 21
No: Ligand Similarity coefficient
1 GLC IBZ 0.9997
2 BGC IBZ 0.9985
3 BGC BGC 0.9259
4 AEY 0.9081
5 OAK 0.9004
6 TH1 0.8990
7 NW1 0.8950
8 6NJ 0.8920
9 M08 0.8890
10 L12 0.8831
11 CMG 0.8827
12 IDD 0.8827
13 EDZ 0.8782
14 S13 0.8736
15 EMU 0.8715
16 LI4 0.8680
17 7WD 0.8663
18 DL6 0.8643
19 UN4 0.8633
20 AIQ 0.8623
21 T5J 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CEL; Ligand: GLC IBZ; 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: 1cel.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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