Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLA B:601;
C:601;
A:601;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
104.061 C3 H4 O4 C(C(=...
GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ G:1;
D:1;
H:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
1556.46 n/a O=C(N...
1GN ACY GAL 1GN BGC ACY GAL BGC E:1;
I:1;
F:1;
 Valid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
1072.97 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
Ligand no: 2; Ligand: 1GN ACY GAL 1GN BGC ACY GAL BGC; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 1GN ACY GAL 1GN BGC ACY GAL BGC 1 1
2 NDG GLA NAG GLC RAM 0.637255 0.979592
3 NDG NAG GLA NAG GLC RAM 0.637255 0.979592
4 A2G GAL 0.628205 0.9375
5 NDG GLA GLC NAG GLC RAM 0.619048 0.979592
6 NAG NAG MAN MAN MAN 0.602041 1
7 BGC GAL NAG GAL 0.588889 0.9375
8 BGC BGC BGC BGC 0.581395 0.6875
9 A2G GAL NAG 0.571429 1
10 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.568627 0.9375
11 BGC GAL GLA NGA GAL 0.56383 0.9375
12 NAG BMA MAN MAN MAN MAN 0.555556 0.9375
13 NDG BMA MAN MAN NAG MAN MAN 0.550459 1
14 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.548387 0.872727
15 A2G NAG 0.547619 1
16 YZ0 MAN MAN NAG MAN 0.529412 0.938776
17 BGC GAL NAG NAG GAL GAL 0.524272 1
18 NAG BDP NAG BDP NAG BDP NAG 0.52 0.96
19 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.518868 0.9375
20 NAG FUC 0.517647 0.9375
21 MMA MAN MAN 0.511628 0.693878
22 BGC GAL NGA GAL 0.5 0.9375
23 NAG BMA MAN MAN NAG GAL NAG GAL 0.495413 0.979592
24 GAL NGA A2G 0.494505 1
25 NAG GAL GAL 0.494505 0.9375
26 MGC GAL 0.494118 0.938776
27 NAG NAG BMA MAN MAN MAN MAN 0.491379 0.923077
28 NAG GAL FUC 0.489362 0.958333
29 BMA MAN MAN 0.488372 0.6875
30 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.486957 1
31 NDG BMA MAN MAN NAG GAL NAG 0.486726 0.979592
32 NAG GAL NAG GAL 0.484536 1
33 NAG GAL NAG GAL NAG GAL 0.484536 0.979592
34 GAL NAG GAL NAG GAL 0.484536 1
35 BMA MAN MAN MAN 0.483871 0.714286
36 NAG NAG BMA MAN MAN NAG GAL NAG 0.482456 0.979592
37 NAG BDP 0.477778 0.9
38 BGC GLC GLC 0.477273 0.6875
39 GLC GAL NAG GAL FUC GLA 0.477064 0.958333
40 NAG GAL GLC NAG GLC RAM 0.475248 1
41 BGC GAL NAG GAL FUC 0.471698 0.958333
42 NAG GAL BGC GAL 0.463918 0.9375
43 GLC GLC GLC 0.461538 0.66
44 A2G SER GAL 0.458333 0.903846
45 NAG GC4 0.457447 0.9
46 BGC GLC GLC GLC 0.456522 0.6875
47 GLC GLC GLC GLC GLC 0.456522 0.6875
48 GLA NAG GAL FUC 0.455446 0.958333
49 NAG NAG FUL BMA MAN MAN NAG GAL 0.455285 0.90566
50 NAG BDP NAG BDP 0.454545 0.90566
51 NAG GAL NAG 0.453608 1
52 BGC GAL NAG 0.453608 0.9375
53 NAG FUC GAL 0.452632 0.958333
54 A2G MBN GAL 0.44898 0.9
55 BMA MAN MAN MAN MAN 0.44898 0.693878
56 BMA NGT MAN MAN 0.447619 0.661017
57 BGC GLC GLC GLC GLC 0.445783 0.6875
58 BGC GLC GLC GLC GLC GLC 0.445783 0.6875
59 BGC GAL GLA NGA 0.445545 0.9375
60 C4W NAG FUC BMA MAN 0.443478 0.923077
61 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.44186 0.827586
62 C4W NAG FUC BMA MAN MAN NAG 0.440945 0.923077
63 NGA THR GAL NAG 0.440367 0.941176
64 A2G THR GAL 0.438776 0.941176
65 NAG BDP NAG BDP NAG BDP 0.438596 0.923077
66 NAG GAD 0.43299 0.865385
67 GAL NAG GAL 0.43299 0.9375
68 A2G THR GAL NAG 0.431193 0.941176
69 GLC GAL NAG GAL FUC A2G 0.431034 0.979592
70 YZ0 MAN Z4Y NAG MAN 0.428571 0.884615
71 BGC FUC GAL NAG GAL 0.427273 0.958333
72 GAL NAG FUC GAL 0.427184 0.958333
73 NAG GAL 0.426966 0.9375
74 BGC FUC GAL NAG 0.424528 0.958333
75 GAL NAG 0.423913 0.9375
76 MAN MAN MAN MAN MAN MAN MAN 0.421569 0.6875
77 BMA MAN MAN NAG GAL NAG 0.421053 1
78 GAL A2G MBN 0.42 0.882353
79 BGC BGC BGC BGC BGC BGC 0.418605 0.6875
80 BGC BGC BGC 0.418605 0.6875
81 GLC BGC BGC BGC 0.418605 0.6875
82 BGC BGC BGC BGC BGC BGC BGC 0.418605 0.6875
83 BGC BGC BGC BGC BGC 0.418605 0.6875
84 NAG G6S 0.418367 0.71875
85 MAN NAG PO4 NGA PO4 0.417476 0.842105
86 MMA MAN 0.416667 0.693878
87 H1M MAN MAN 0.416667 0.653846
88 MAN BMA MAN MAN MAN MAN MAN 0.415094 0.693878
89 C4W NAG FUC BMA MAN NAG GAL 0.414634 0.827586
90 C4W NAG FUC BMA MAN MAN NAG NAG 0.414062 0.923077
91 MBG NAG 0.413043 0.938776
92 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.410714 0.96
93 GAL NAG GAL SIA 0.409836 0.90566
94 BMA Z4Y NAG 0.409524 0.918367
95 MAN MAN MAN 0.408163 0.673469
96 A2G NPO GAL 0.407767 0.734375
97 NAG NAG BMA MAN 0.407407 0.923077
98 MAN MAN MAN NAG NAG 0.40566 1
99 KDO MAN MAN MAN MAN MAN 0.404959 0.653846
100 BGC GAL NAG GAL FUC FUC 0.403509 0.938776
101 MAG SGA FUC 0.401869 0.734375
102 NAG NAG BMA MAN MAN NAG NAG 0.401639 0.90566
103 BMA MAN NAG 0.4 0.9375
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
Ligand no: 2; Ligand: 1GN ACY GAL 1GN BGC ACY GAL BGC; 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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