Receptor
PDB id Resolution Class Description Source Keywords
4BQ5 2.3 Å EC: 3.2.1.81 STRUCTURAL ANALYSIS OF AN EXO-BETA-AGARASE SACCHAROPHAGUS DEGRADANS HYDROLASE
Ref.: SUBSTRATE RECOGNITION AND HYDROLYSIS BY A FAMILY 50 EXO-BETA-AGARASE AGA50D FROM THE MARINE BACTERIUM SACCHAROPHAGUS DEGRADANS J.BIOL.CHEM. V. 288 28078 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1804;
A:1803;
B:1807;
A:1802;
B:1806;
B:1805;
 Part of Protein;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
GOL B:1802;
A:1801;
B:1804;
B:1803;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GAL AAL AAL GAL GAL AAL AAL GAL C:1;
 Valid;
 none;
 submit data
1247.11 n/a O(C1C...
GAL AAL H:1;
 Valid;
 none;
 submit data
324.282 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BQ4 2.05 Å EC: 3.2.1.81 STRUCTURAL ANALYSIS OF AN EXO-BETA-AGARASE SACCHAROPHAGUS DEGRADANS HYDROLASE
Ref.: SUBSTRATE RECOGNITION AND HYDROLYSIS BY A FAMILY 50 EXO-BETA-AGARASE AGA50D FROM THE MARINE BACTERIUM SACCHAROPHAGUS DEGRADANS J.BIOL.CHEM. V. 288 28078 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BQ5 - GAL AAL AAL GAL GAL AAL AAL GAL n/a n/a
2 4BQ4 - GAL AAL GAL AAL n/a n/a
3 4BQ3 - 47N C12 H20 O10 C1[C@H]2[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BQ5 - GAL AAL AAL GAL GAL AAL AAL GAL n/a n/a
2 4BQ4 - GAL AAL GAL AAL n/a n/a
3 4BQ3 - 47N C12 H20 O10 C1[C@H]2[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BQ5 - GAL AAL AAL GAL GAL AAL AAL GAL n/a n/a
2 4BQ4 - GAL AAL GAL AAL n/a n/a
3 4BQ3 - 47N C12 H20 O10 C1[C@H]2[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL AAL AAL GAL GAL AAL AAL GAL; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL AAL AAL GAL GAL AAL AAL GAL 1 1
2 GAL AAL GAL AAL 0.769231 0.923077
3 GAL AAL GAL AAL GAL AAL 0.769231 0.923077
4 GAL AAL 0.538462 0.923077
5 47N 0.538462 0.923077
6 G4S G4S 9RN DGS G4S 9RN 0.495327 0.631579
7 9RN G4S 9RN G4S 0.413462 0.607143
Ligand no: 2; Ligand: GAL AAL; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL AAL 1 1
2 47N 1 1
3 GAL AAL GAL AAL 0.731343 1
4 GAL AAL GAL AAL GAL AAL 0.731343 1
5 GAL AAL AAL GAL GAL AAL AAL GAL 0.538462 0.923077
6 GAL GLA 0.508475 0.891892
7 GLC BGC BGC BGC 0.46875 0.891892
8 BGC BGC BGC BGC BGC 0.46875 0.891892
9 BGC BGC BGC BGC BGC BGC 0.46875 0.891892
10 BGC BGC BGC 0.46875 0.891892
11 BGC BGC BGC BGC BGC BGC BGC 0.46875 0.891892
12 G4S G4S 9RN DGS G4S 9RN 0.42268 0.672727
13 G4S DGS 0.410256 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL AAL AAL GAL GAL AAL AAL GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GAL AAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 MAN BMA 0.8623
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BQ4; Ligand: GAL AAL GAL AAL; 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: 4bq4.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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