Receptor
PDB id Resolution Class Description Source Keywords
6SAO 1.2 Å EC: 3.-.-.- STRUCTURAL AND FUNCTIONAL CHARACTERISATION OF THREE NOVEL FU AMYLASES WITH ENHANCED STABILITY AND PH TOLERANCE THAMNIDIUM ELEGANS BIOTECHNOLOGY AMYLASE COMPLEX FUNGAL HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THREE FUNGAL AMYLASES WITH ENHANCED STABILITY AND PH TOLE INT J MOL SCI V. 20 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:504;
A:513;
A:512;
A:514;
A:503;
A:502;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
EDO A:511;
A:510;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
BGC GLC AC1 GLC AC1 B:1;
 Valid;
 none;
 submit data
1133.11 n/a O(C1C...
CA A:515;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
NAG A:501;
 Invalid;
 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
6SAO 1.2 Å EC: 3.-.-.- STRUCTURAL AND FUNCTIONAL CHARACTERISATION OF THREE NOVEL FU AMYLASES WITH ENHANCED STABILITY AND PH TOLERANCE THAMNIDIUM ELEGANS BIOTECHNOLOGY AMYLASE COMPLEX FUNGAL HYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THREE FUNGAL AMYLASES WITH ENHANCED STABILITY AND PH TOLE INT J MOL SCI V. 20 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6SAO - BGC GLC AC1 GLC AC1 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 261 families.
1 6SAO - BGC GLC AC1 GLC AC1 n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 6SAU - BGC GLC AC1 GLC AC1 n/a n/a
2 3VM7 - GLC C6 H12 O6 C([C@@H]1[....
3 7TAA - ABC C37 H63 N O26 C[C@@H]1[C....
4 2GVY - GLC GLC n/a n/a
5 6SAO - BGC GLC AC1 GLC AC1 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC GLC AC1 GLC AC1; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLC DAF GLC GLC GLC DAF 1 1
2 BGC GLC AC1 GLC AC1 1 1
3 GLC GLC GLC GLC GLC GLC AC1 0.802198 0.921569
4 GLC GLC GLC AC1 0.802198 0.921569
5 GLC GLC G6D GLC ACI G6D ACI 0.73 0.960784
6 GLC AC1 GLC AC1 0.73 0.960784
7 GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI 0.73 0.960784
8 GLC GLC GLC DAF DAF 0.714286 0.921569
9 BGC GLC AC1 GLC GLC GLC AC1 0.714286 0.921569
10 GLC GLC GLC G6D ACI GLC GLC 0.714286 0.882353
11 BGC G6D GLC ACI G6D ACI 0.714286 0.921569
12 GLC BGC G6D ACI 0.673469 0.882353
13 GAL GLC GLD ACI 0.632653 0.882353
14 BGC GLC AC1 0.62037 0.921569
15 GLC GLC AC1 GLC GLC GLC 0.607477 0.921569
16 GLC GLC AGL HMC GLC 0.607477 0.921569
17 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.607477 0.941176
18 GLC GLC G6D GLC ACI GLC 0.607477 0.921569
19 BGC GLC AGL GLC HMC AGL 0.59633 0.941176
20 BGC DAF 0.581633 0.882353
21 GLC GLC G6D ACI 0.570093 0.921569
22 BGC GLC AGL GLC GLC GLC 0.477064 0.796296
23 7SA 0.438017 0.921569
24 GLC AC1 0.43299 0.823529
25 GLC GLC AC1 0.42 0.823529
26 TXT 0.4 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GLC AC1 GLC AC1; 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 : 6SAO; Ligand: BGC GLC AC1 GLC AC1; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 6sao.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4E2O BGC G6D GLC ACI G6D ACI 41.6856
2 2CXG GLC G6D ACI GLC 42.369
3 3BMW GLC GLC GLC G6D ACI GLC GLC 43.2802
4 5A2B GLC GLC 47.6082
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