Receptor
PDB id Resolution Class Description Source Keywords
5o59 1.75 Å EC: 3.2.1.- CELLOBIOHYDROLASE CEL7A FROM T. ATROVIRIDE HYPOCREA ATROVIRIDIS HYDROLASE GLYCOSIDE HYDROLASE CELLOBIOHYDROLASE CELLULASE
Ref.: CORRELATION OF STRUCTURE, FUNCTION AND PROTEIN DYNA GH7 CELLOBIOHYDROLASES FROM TRICHODERMA ATROVIRIDE, REESEI AND T. HARZIANUM. BIOTECHNOL BIOFUELS V. 11 5 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTB B:507;
A:605;
 Invalid;
Invalid;
 none;
none;
 submit data
209.24 C8 H19 N O5 C(CO)...
NI A:603;
B:503;
B:502;
A:602;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
58.693 Ni [Ni+2...
GOL B:504;
B:505;
A:604;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GS1 GLC GS1 B:511;
B:508;
A:609;
A:606;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
n/a n/a
NAG A:601;
B:501;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
PEG B:506;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O59 1.75 Å EC: 3.2.1.- CELLOBIOHYDROLASE CEL7A FROM T. ATROVIRIDE HYPOCREA ATROVIRIDIS HYDROLASE GLYCOSIDE HYDROLASE CELLOBIOHYDROLASE CELLULASE
Ref.: CORRELATION OF STRUCTURE, FUNCTION AND PROTEIN DYNA GH7 CELLOBIOHYDROLASES FROM TRICHODERMA ATROVIRIDE, REESEI AND T. HARZIANUM. BIOTECHNOL BIOFUELS V. 11 5 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5O59 - GS1 GLC GS1 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 5O59 - GS1 GLC GS1 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 10 families.
1 5O59 - GS1 GLC GS1 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GS1 GLC GS1; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GS1 GLC GS1; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GS1 GLC GS1 1.0000
2 GLC SHD Z6H 0.9238
3 BGC BGC BGC 0.9182
4 GLC BGC BGC 0.9055
5 GCS GCS GCS 0.8881
6 BGC OXZ BGC 0.8871
7 MAN BMA BMA 0.8830
8 BMA BMA BGC 0.8806
9 BMA BMA BMA 0.8764
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O59; Ligand: GS1 GLC GS1; 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: 5o59.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5O59; Ligand: GS1 GLC GS1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5o59.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback