Receptor
PDB id Resolution Class Description Source Keywords
4AK7 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF BPGH117_E303Q IN COMPLEX WITH NEOAGAROB BACTEROIDES PLEBEIUS HYDROLASE MARINE GLYCOSIDE HYDROLASE MARINE POLYSACCHARIDEDEGRADATION MARINE CAZYMES AGAR METABOLISM SEAWEED BIOFU
Ref.: ANALYSIS OF KEYSTONE ENZYME IN AGAR HYDROLYSIS PROV INSIGHT INTO THE DEGRADATION (OF A POLYSACCHARIDE F SEAWEEDS. J.BIOL.CHEM. V. 287 13985 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
47N A:1402;
B:1403;
Valid;
Valid;
none;
none;
submit data
324.281 C12 H20 O10 C1[C@...
ACT A:1406;
B:1406;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:1403;
Invalid;
none;
submit data
40.078 Ca [Ca+2...
CL B:1404;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:1404;
A:1405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:1407;
B:1405;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AK7 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF BPGH117_E303Q IN COMPLEX WITH NEOAGAROB BACTEROIDES PLEBEIUS HYDROLASE MARINE GLYCOSIDE HYDROLASE MARINE POLYSACCHARIDEDEGRADATION MARINE CAZYMES AGAR METABOLISM SEAWEED BIOFU
Ref.: ANALYSIS OF KEYSTONE ENZYME IN AGAR HYDROLYSIS PROV INSIGHT INTO THE DEGRADATION (OF A POLYSACCHARIDE F SEAWEEDS. J.BIOL.CHEM. V. 287 13985 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 4AK7 - 47N C12 H20 O10 C1[C@H]2[C....
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 4AK7 - 47N C12 H20 O10 C1[C@H]2[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3R4Z - GLA C6 H12 O6 C([C@@H]1[....
2 4AK7 - 47N C12 H20 O10 C1[C@H]2[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 47N; 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: 47N; Similar ligands found: 28
No: Ligand Similarity coefficient
1 ABL 0.8829
2 DSQ 0.8753
3 FUC GAL 0.8733
4 7G2 0.8707
5 BGC BGC 0.8704
6 MBG GLA 0.8702
7 BGC GAL 0.8664
8 AGI 0.8659
9 78P 0.8653
10 FLF 0.8644
11 LU2 0.8638
12 8HH 0.8623
13 GLC GAL 0.8619
14 BMA GAL 0.8619
15 BMA BGC 0.8594
16 IFM BGC 0.8587
17 XYP XYP 0.8584
18 IWH 0.8581
19 NU3 0.8579
20 GAL GAL 0.8578
21 DS8 0.8578
22 53X 0.8562
23 MRI 0.8552
24 GLA GLA 0.8543
25 MHB 0.8532
26 Q2S 0.8531
27 6JP 0.8524
28 DT9 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AK7; Ligand: 47N; 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: 4ak7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AK7; Ligand: 47N; 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: 4ak7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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