Receptor
PDB id Resolution Class Description Source Keywords
5JSE 1.89 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHIAB6 TAILSPIKE IN COMPLEX WITH THREE- OLIGOSACCHARIDES OF ACINETOBACTER BAUMANNII SURFACE POLYSAC UNIDENTIFIED PHAGE VIRAL TAILSPIKE BETA-HELIX SUPERHELICAL TRIMER VIRAL PROT
Ref.: STRUCTURAL BASIS FOR FRAGMENTING THE EXOPOLYSACCHAR ACINETOBACTER BAUMANNII BY BACTERIOPHAGE PHI AB6 TA PROTEIN SCI REP V. 7 42711 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLA C:602;
B:601;
C:601;
B:602;
A:601;
A:602;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
104.061 C3 H4 O4 C(C(=...
GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ D:1;
E:1;
F:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
1556.46 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JSD 1.48 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHIAB6 TAILSPIKE IN COMPLEX WITH FIVE-R OLIGOSACCHARIDES OF ACINETOBACTER BAUMANNII SURFACE POLYSAC UNIDENTIFIED PHAGE VIRAL TAILSPIKE BETA-HELIX SUPERHELICAL TRIMER VIRAL PROT
Ref.: STRUCTURAL BASIS FOR FRAGMENTING THE EXOPOLYSACCHAR ACINETOBACTER BAUMANNII BY BACTERIOPHAGE PHI AB6 TA PROTEIN SCI REP V. 7 42711 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5JSE - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
2 5JSD - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5JSE - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
2 5JSD - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5JSE - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
2 5JSD - GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 1 1
2 GAL NAG GAL SIA 0.555556 0.963636
3 1GN ACY GAL 1GN BGC ACY GAL BGC 0.548387 0.872727
4 BGC GAL NAG GAL SIA 0.5 0.963636
5 NAG GAL NAG GAL SIA 0.493243 0.963636
6 SIA GAL NGA GAL 0.478873 0.945455
7 BGC GAL SIA 0.460432 0.927273
8 BGC GAL SIA NGA GAL 0.456954 0.945455
9 BGC GAL GLA NGA GAL SIA 0.456954 0.945455
10 NAG NAG MAN MAN MAN 0.455224 0.872727
11 BGC BGC BGC BGC 0.45 0.6
12 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.449438 0.870968
13 BGC GAL NAG GAL 0.448 0.818182
14 BGC GAL GLA NGA GAL 0.445312 0.818182
15 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.445255 0.818182
16 NAG GAL 5N6 0.445205 0.946429
17 GAL SIA NGA GAL SIA 0.438356 0.945455
18 NDG BMA MAN MAN NAG MAN MAN 0.4375 0.872727
19 BMA MAN MAN 0.431034 0.6
20 GAL SIA NGA GAL 0.428571 0.963636
21 KDO MAN MAN MAN MAN MAN 0.424658 0.690909
22 BGC GAL NAG NAG GAL GAL 0.423358 0.872727
23 GAL NAG GAL NAG GAL 0.421875 0.872727
24 GAL NGA GAL SIA 0.418919 0.945455
25 BMA MAN MAN NAG GAL NAG 0.41844 0.872727
26 C4W NAG FUC BMA MAN NAG GAL SIA 0.416185 0.870968
27 NAG NAG BMA MAN MAN MAN MAN 0.416107 0.877193
28 NAG GAL SIA SIA 0.416107 0.963636
29 BGC GAL SIA NGA GAL SIA 0.412903 0.945455
30 NAG BMA MAN MAN MAN MAN 0.411765 0.818182
31 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.411348 0.818182
32 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.402685 0.872727
33 GAL SIA NGA GAL SIA SIA 0.402516 0.928571
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ; 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 : 5JSD; Ligand: GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ; 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: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JSD; Ligand: 1GN ACY GAL 1GN BGC ACY GAL BGC; 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: 5jsd.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5JSD; Ligand: GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5JSD; Ligand: GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5JSD; Ligand: 1GN ACY GAL 1GN BGC ACY GAL BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5jsd.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5JSD; Ligand: 1GN ACY GAL 1GN BGC ACY GAL BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5jsd.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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