Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AAL GAL AAL GAL B:1794;
A:1794;
Valid;
Valid;
none;
none;
submit data
630.549 n/a O(C1O...
GOL B:1800;
B:1798;
A:1799;
A:1798;
B:1801;
B:1799;
A:1801;
A:1800;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CA A:1803;
B:1802;
A:1802;
B:1803;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
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 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
2 4BQ4 - AAL GAL AAL GAL n/a n/a
3 4BQ3 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
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 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
2 4BQ4 - AAL GAL AAL GAL n/a n/a
3 4BQ3 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
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 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
2 4BQ4 - AAL GAL AAL GAL n/a n/a
3 4BQ3 - AAL GAL AAL GAL AAL GAL AAL GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AAL GAL AAL GAL; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 AAL GAL AAL GAL 1 1
2 AAL GAL AAL GLA 1 1
3 GAL AAL GAL AAL GAL AAL 1 1
4 AAL GAL AAL GAL AAL GAL AAL GAL 0.858974 0.925
5 AAL GAL 0.731343 1
6 47N 0.731343 1
7 AAL GAL AAL GAL AAL GAL AAL 0.728395 0.9
8 BGC BGC BGC GLC BGC BGC 0.493333 0.891892
9 BGC BGC BGC BGC BGC 0.493333 0.891892
10 BGC BGC BGC 0.493333 0.891892
11 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
12 GLC BGC BGC BGC 0.493333 0.891892
13 BGC BGC BGC ASO BGC BGC ASO 0.493333 0.891892
14 DGS G4S DGS G4S 0.454545 0.705882
15 P3M 0.435294 0.702128
16 MAN GLC 0.426667 0.891892
17 M3M 0.426667 0.891892
18 LB2 0.426667 0.891892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BQ4; Ligand: AAL GAL AAL GAL; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 4bq4.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PTQ NFG 0.003136 0.43189 1.38614
2 2OYL IDC 0.008233 0.40559 1.6632
3 4YHG CT3 0.01792 0.40026 1.79949
4 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.009036 0.41066 2.53165
5 3ZQ9 NOY BGC 0.002943 0.42174 2.8626
6 2E40 LGC 0.0006972 0.49336 4.94624
7 3AI0 PNW 0.003445 0.43415 5.54415
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