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
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...
GAL AAL GAL AAL C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
630.549 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 GAL AAL; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL AAL GAL AAL 1 1
2 GAL AAL GAL AAL GAL AAL 1 1
3 GAL AAL AAL GAL GAL AAL AAL GAL 0.769231 0.923077
4 47N 0.731343 1
5 GAL AAL 0.731343 1
6 G4S G4S 9RN DGS G4S 9RN 0.544554 0.672727
7 BGC BGC BGC 0.493333 0.891892
8 GLC BGC BGC BGC 0.493333 0.891892
9 BGC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
10 BGC BGC BGC BGC BGC BGC 0.493333 0.891892
11 BGC BGC BGC BGC BGC 0.493333 0.891892
12 G4S 9RN G4S 9RN G4S 0.459184 0.636364
13 9RN G4S 9RN G4S 0.43 0.648148
14 GAL GLA 0.426667 0.891892
15 MAN MAN M6P 0.420455 0.717391
16 BGC BGC BGC BGC 0.41573 0.891892
17 G4S DGS G4S DGS 0.413462 0.654545
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL AAL GAL AAL; 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 : 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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