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
6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC A:602;
Valid;
none;
submit data
1550.41 n/a O=C([...
1GN ACY GAL ACY 1GN BGC GAL BGC C:611;
Valid;
none;
submit data
1072.97 n/a O=C(N...
ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC A:619;
Valid;
none;
submit data
1550.41 n/a O=C([...
MLA B:601;
C:601;
A:601;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
104.061 C3 H4 O4 C(C(=...
ACY C:620;
C:619;
Invalid;
Invalid;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
ACY 1GN GAL 1GN BGC ACY GAL BGC B:602;
A:611;
Valid;
Valid;
none;
none;
submit data
1072.97 n/a O=C(N...
6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC B:613;
Valid;
none;
submit data
1468.35 n/a O=C([...
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 1256 families.
1 5JSE - 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC n/a n/a
2 5JSD - 1GN ACY GAL ACY 1GN BGC GAL BGC 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 1068 families.
1 5JSE - 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC n/a n/a
2 5JSD - 1GN ACY GAL ACY 1GN BGC GAL BGC 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 922 families.
1 5JSE - 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC n/a n/a
2 5JSD - 1GN ACY GAL ACY 1GN BGC GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 1 1
2 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 1 1
3 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.763359 1
4 SIA NAG GAL GAL 0.603053 0.981481
5 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.548387 0.888889
6 1GN ACY GAL ACY 1GN BGC GAL BGC 0.548387 0.888889
7 SIA GAL NAG GAL BGC 0.531034 0.981481
8 BGC GAL NAG SIA GAL 0.531034 0.981481
9 SIA GAL NAG GAL GLC 0.531034 0.981481
10 SIA GAL NAG GAL 0.528571 0.981481
11 GAL NAG SIA GAL 0.528571 0.981481
12 GAL SIA NGA GAL 0.5 0.962963
13 GAL TNR SIA 0.489362 0.963636
14 NAG GAL SIA 0.478261 0.981481
15 GAL NGA GAL BGC SIA 0.466667 0.962963
16 GAL NGA SIA GAL BGC 0.466667 0.962963
17 BGC GAL SIA NGA GAL 0.466667 0.962963
18 SIA GAL BGC NGA GAL 0.466667 0.962963
19 GAL SIA NGA GAL SIA 0.458333 0.962963
20 M5S 0.457627 0.611111
21 MAN BMA MAN MAN MAN 0.457627 0.611111
22 SIA GAL NAG SIA 0.455172 0.981481
23 SIA NAG GAL 0.453901 0.946429
24 NAG BMA MAN MAN MAN MAN 0.453846 0.833333
25 GAL NGA GAL SIA 0.448276 0.962963
26 SIA GAL NGA GAL 0.448276 0.962963
27 GAL SIA 0.445312 0.944444
28 NAG NAG BMA MAN MAN 0.444444 0.888889
29 MAN MAN NAG MAN NAG 0.444444 0.888889
30 4U0 0.439716 0.925926
31 GAL NAG GAL BGC 0.436508 0.833333
32 LAT NAG GAL 0.436508 0.833333
33 BGC GAL NAG GAL 0.436508 0.833333
34 GLC GLC GLC GLC 0.435897 0.611111
35 GAL NGA GLA BGC GAL 0.434109 0.833333
36 4U1 0.426573 0.962963
37 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.42446 0.833333
38 BGC GAL SIA SIA GAL NGA 0.422078 0.962963
39 GAL BGC GAL SIA NGA SIA 0.422078 0.962963
40 SIA SIA GAL NGA GAL SIA 0.420382 0.945455
41 M5G 0.417808 0.888889
42 KDO MAN MAN MAN MAN MAN 0.414966 0.703704
43 MAN MAN MAN MAN 0.413223 0.611111
44 MAN MAN BMA MAN 0.413223 0.611111
45 NAG GAL GAL NAG GAL 0.410853 0.888889
46 SIA SIA GAL NGA GAL 0.408805 0.945455
47 SIA GAL NDG SIA 0.406667 0.946429
48 SIA GAL A2G 0.405594 0.962963
49 NGA GAL SIA 0.405594 0.962963
50 NAG MAN GAL MAN MAN NAG GAL 0.402878 0.888889
Ligand no: 2; Ligand: 1GN ACY GAL ACY 1GN BGC GAL BGC; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 1GN ACY GAL ACY 1GN BGC GAL BGC 1 1
2 ACY 1GN GAL 1GN BGC ACY GAL BGC 1 1
3 A2G GAL 0.628205 0.9375
4 GAL A2G 0.628205 0.9375
5 GAL NGA 0.628205 0.9375
6 NAG BMA MAN MAN MAN MAN 0.623656 0.9375
7 NAG NAG BMA MAN MAN 0.602041 1
8 MAN MAN NAG MAN NAG 0.602041 1
9 GAL NAG GAL BGC 0.588889 0.9375
10 LAT NAG GAL 0.588889 0.9375
11 BGC GAL NAG GAL 0.588889 0.9375
12 GAL NGA A2G 0.576471 0.979592
13 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.568627 0.9375
14 GAL NGA GLA BGC GAL 0.56383 0.9375
15 M5G 0.550459 1
16 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.548387 0.888889
17 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.548387 0.888889
18 NAG A2G 0.547619 1
19 NAG NGA 0.547619 1
20 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.544 0.888889
21 WZ5 0.529412 0.938776
22 GLC GLC GLC GLC 0.529412 0.6875
23 MAN MAN MAN MAN 0.528736 0.6875
24 MAN MAN BMA MAN 0.528736 0.6875
25 NAG GCU NAG GCU NAG GCU 5AX 0.52 0.96
26 NAG BDP NAG BDP NAG BDP NAG 0.52 0.96
27 FUC NAG 0.517647 0.9375
28 MAN MMA MAN 0.511628 0.693878
29 M5S 0.505618 0.6875
30 MAN BMA MAN MAN MAN 0.505618 0.6875
31 NAG MAN MAN MAN NAG GAL NAG GAL 0.495413 0.979592
32 NAG MAN GAL BMA NDG MAN NAG GAL 0.495413 0.979592
33 MAN BMA NAG NAG MAN NAG GAL GAL 0.495413 0.979592
34 NAG MAN GAL BMA NAG MAN NAG GAL 0.495413 0.979592
35 NAG GAL GAL 0.494505 0.9375
36 GLA GAL NAG 0.494505 0.9375
37 MAN BMA NAG 0.494505 0.9375
38 GAL MGC 0.494118 0.938776
39 NAG NAG BMA MAN MAN MAN MAN 0.491379 0.923077
40 NAG GAL FUC 0.489362 0.958333
41 DR3 0.489362 0.958333
42 RAM GLC GAL NAG NAG GLC 0.487805 0.923077
43 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.486957 1
44 NAG MAN BMA NDG MAN NAG GAL 0.486726 0.979592
45 NAG GAL GAL NAG 0.484536 1
46 GAL NAG GAL NAG GAL NAG 0.484536 0.979592
47 NAG GAL GAL NAG GAL 0.484536 1
48 NAG BDP 0.477778 0.9
49 GLA GAL NAG FUC GAL GLC 0.477064 0.958333
50 FUC GAL NAG GAL BGC 0.471698 0.958333
51 GLC GAL NAG GAL 0.464646 0.9375
52 GAL BGC NAG GAL 0.463918 0.9375
53 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.460177 0.865385
54 GC4 NAG 0.457447 0.9
55 WZ3 0.457447 0.68
56 GLC GLC GLC BGC 0.456522 0.6875
57 NAG BDP NAG BDP 0.454545 0.90566
58 NAG GAL BGC 0.453608 0.9375
59 NAG GAL NAG 0.453608 1
60 GAL TNR 0.452632 0.94
61 GAL NDG FUC 0.452632 0.958333
62 NGA SER GAL 0.452632 0.94
63 A2G SER GAL 0.452632 0.94
64 GAL SER A2G 0.452632 0.94
65 FUC NAG GAL 0.452632 0.958333
66 GAL NAG FUC 0.452632 0.958333
67 FUC NDG GAL 0.452632 0.958333
68 NAG BMA NAG MAN MAN NAG NAG 0.451327 0.979592
69 BMA NGT MAN MAN 0.447619 0.661017
70 GLC GLC GLC GLC BGC 0.445783 0.6875
71 MAN MAN MAN 0.445783 0.6875
72 GLC GLC GLC GLC GLC BGC 0.445783 0.6875
73 GLC GLC GLC 0.445783 0.6875
74 NGA GLA GAL BGC 0.445545 0.9375
75 MAN MAN MAN BMA MAN 0.443299 0.6875
76 GLA BGC 0.439024 0.6875
77 BMA GLA 0.439024 0.6875
78 GLA GLC 0.439024 0.6875
79 MLB 0.439024 0.6875
80 GAL GAL 0.439024 0.6875
81 LAK 0.439024 0.6875
82 GLA BMA 0.439024 0.6875
83 MAN BMA 0.439024 0.6875
84 BGC GLA 0.439024 0.6875
85 NAG BDP NAG BDP NAG BDP 0.438596 0.923077
86 UCD 0.4375 0.882353
87 NAG MAN MAN 0.434343 0.9375
88 NAG MAN BMA 0.434343 0.9375
89 NAG GAD 0.43299 0.865385
90 GAD NDG 0.43299 0.865385
91 NGA GCD 0.43299 0.865385
92 GCD NGA 0.43299 0.865385
93 GLC GAL NAG GAL FUC A2G 0.431034 0.979592
94 A2G GAL NAG FUC GAL GLC 0.431034 0.979592
95 WZ4 0.428571 0.884615
96 FUC BGC GAL NAG GAL 0.427273 0.958333
97 NAG MAN GAL MAN MAN NAG GAL 0.427273 1
98 GAL NAG GAL FUC 0.427184 0.958333
99 GLA NAG GAL FUC 0.427184 0.958333
100 NLC 0.426966 0.9375
101 NDG GAL 0.426966 0.9375
102 GAL NDG 0.426966 0.9375
103 FUC BGC GAL NAG 0.424528 0.958333
104 GAL A2G THR 0.424242 0.96
105 GAL A2G MBN 0.42 0.882353
106 BGC BGC BGC ASO BGC BGC ASO 0.418605 0.6875
107 GLC BGC BGC BGC 0.418605 0.6875
108 GLC BGC BGC BGC BGC BGC BGC 0.418605 0.6875
109 BGC BGC BGC GLC BGC BGC 0.418605 0.6875
110 BGC BGC BGC 0.418605 0.6875
111 BGC BGC BGC BGC BGC 0.418605 0.6875
112 GAL NAG 0.417582 0.9375
113 NAG GAL 0.417582 0.9375
114 NGA GAL 0.417582 0.9375
115 MAN MMA 0.416667 0.693878
116 MAN H1M MAN 0.416667 0.653846
117 MAN MAN MAN BMA MAN MAN MAN 0.415094 0.693878
118 NAG MBG 0.413043 0.938776
119 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.410714 0.96
120 SIA NAG GAL GAL 0.409836 0.90566
121 NPO A2G GAL 0.407767 0.734375
122 GAL A2G NPO 0.407767 0.734375
123 NAG NAG BMA MAN 0.407407 0.923077
124 NAG MAN MAN MAN NAG 0.40566 1
125 KDO MAN MAN MAN MAN MAN 0.404959 0.653846
126 GLC GLC GLC GLC GLC GLC 0.404255 0.6875
127 G6S NAG 0.40404 0.725806
128 BGC GAL NAG GAL FUC FUC 0.403509 0.938776
129 GLC GAL NAG GAL FUC FUC 0.403509 0.938776
130 NAG NAG BMA MAN MAN NAG NAG 0.401639 0.90566
Ligand no: 3; Ligand: ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 1 1
2 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 1 1
3 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.763359 1
4 SIA NAG GAL GAL 0.603053 0.981481
5 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.548387 0.888889
6 1GN ACY GAL ACY 1GN BGC GAL BGC 0.548387 0.888889
7 SIA GAL NAG GAL BGC 0.531034 0.981481
8 BGC GAL NAG SIA GAL 0.531034 0.981481
9 SIA GAL NAG GAL GLC 0.531034 0.981481
10 SIA GAL NAG GAL 0.528571 0.981481
11 GAL NAG SIA GAL 0.528571 0.981481
12 GAL SIA NGA GAL 0.5 0.962963
13 GAL TNR SIA 0.489362 0.963636
14 NAG GAL SIA 0.478261 0.981481
15 GAL NGA GAL BGC SIA 0.466667 0.962963
16 GAL NGA SIA GAL BGC 0.466667 0.962963
17 BGC GAL SIA NGA GAL 0.466667 0.962963
18 SIA GAL BGC NGA GAL 0.466667 0.962963
19 GAL SIA NGA GAL SIA 0.458333 0.962963
20 M5S 0.457627 0.611111
21 MAN BMA MAN MAN MAN 0.457627 0.611111
22 SIA GAL NAG SIA 0.455172 0.981481
23 SIA NAG GAL 0.453901 0.946429
24 NAG BMA MAN MAN MAN MAN 0.453846 0.833333
25 GAL NGA GAL SIA 0.448276 0.962963
26 SIA GAL NGA GAL 0.448276 0.962963
27 GAL SIA 0.445312 0.944444
28 NAG NAG BMA MAN MAN 0.444444 0.888889
29 MAN MAN NAG MAN NAG 0.444444 0.888889
30 4U0 0.439716 0.925926
31 GAL NAG GAL BGC 0.436508 0.833333
32 LAT NAG GAL 0.436508 0.833333
33 BGC GAL NAG GAL 0.436508 0.833333
34 GLC GLC GLC GLC 0.435897 0.611111
35 GAL NGA GLA BGC GAL 0.434109 0.833333
36 4U1 0.426573 0.962963
37 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.42446 0.833333
38 BGC GAL SIA SIA GAL NGA 0.422078 0.962963
39 GAL BGC GAL SIA NGA SIA 0.422078 0.962963
40 SIA SIA GAL NGA GAL SIA 0.420382 0.945455
41 M5G 0.417808 0.888889
42 KDO MAN MAN MAN MAN MAN 0.414966 0.703704
43 MAN MAN MAN MAN 0.413223 0.611111
44 MAN MAN BMA MAN 0.413223 0.611111
45 NAG GAL GAL NAG GAL 0.410853 0.888889
46 SIA SIA GAL NGA GAL 0.408805 0.945455
47 SIA GAL NDG SIA 0.406667 0.946429
48 SIA GAL A2G 0.405594 0.962963
49 NGA GAL SIA 0.405594 0.962963
50 NAG MAN GAL MAN MAN NAG GAL 0.402878 0.888889
Ligand no: 4; Ligand: ACY 1GN GAL 1GN BGC ACY GAL BGC; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 1GN ACY GAL ACY 1GN BGC GAL BGC 1 1
2 ACY 1GN GAL 1GN BGC ACY GAL BGC 1 1
3 A2G GAL 0.628205 0.9375
4 GAL A2G 0.628205 0.9375
5 GAL NGA 0.628205 0.9375
6 NAG BMA MAN MAN MAN MAN 0.623656 0.9375
7 NAG NAG BMA MAN MAN 0.602041 1
8 MAN MAN NAG MAN NAG 0.602041 1
9 GAL NAG GAL BGC 0.588889 0.9375
10 LAT NAG GAL 0.588889 0.9375
11 BGC GAL NAG GAL 0.588889 0.9375
12 GAL NGA A2G 0.576471 0.979592
13 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.568627 0.9375
14 GAL NGA GLA BGC GAL 0.56383 0.9375
15 M5G 0.550459 1
16 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.548387 0.888889
17 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.548387 0.888889
18 NAG A2G 0.547619 1
19 NAG NGA 0.547619 1
20 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.544 0.888889
21 WZ5 0.529412 0.938776
22 GLC GLC GLC GLC 0.529412 0.6875
23 MAN MAN MAN MAN 0.528736 0.6875
24 MAN MAN BMA MAN 0.528736 0.6875
25 NAG GCU NAG GCU NAG GCU 5AX 0.52 0.96
26 NAG BDP NAG BDP NAG BDP NAG 0.52 0.96
27 FUC NAG 0.517647 0.9375
28 MAN MMA MAN 0.511628 0.693878
29 M5S 0.505618 0.6875
30 MAN BMA MAN MAN MAN 0.505618 0.6875
31 NAG MAN MAN MAN NAG GAL NAG GAL 0.495413 0.979592
32 NAG MAN GAL BMA NDG MAN NAG GAL 0.495413 0.979592
33 MAN BMA NAG NAG MAN NAG GAL GAL 0.495413 0.979592
34 NAG MAN GAL BMA NAG MAN NAG GAL 0.495413 0.979592
35 NAG GAL GAL 0.494505 0.9375
36 GLA GAL NAG 0.494505 0.9375
37 MAN BMA NAG 0.494505 0.9375
38 GAL MGC 0.494118 0.938776
39 NAG NAG BMA MAN MAN MAN MAN 0.491379 0.923077
40 NAG GAL FUC 0.489362 0.958333
41 DR3 0.489362 0.958333
42 RAM GLC GAL NAG NAG GLC 0.487805 0.923077
43 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.486957 1
44 NAG MAN BMA NDG MAN NAG GAL 0.486726 0.979592
45 NAG GAL GAL NAG 0.484536 1
46 GAL NAG GAL NAG GAL NAG 0.484536 0.979592
47 NAG GAL GAL NAG GAL 0.484536 1
48 NAG BDP 0.477778 0.9
49 GLA GAL NAG FUC GAL GLC 0.477064 0.958333
50 FUC GAL NAG GAL BGC 0.471698 0.958333
51 GLC GAL NAG GAL 0.464646 0.9375
52 GAL BGC NAG GAL 0.463918 0.9375
53 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.460177 0.865385
54 GC4 NAG 0.457447 0.9
55 WZ3 0.457447 0.68
56 GLC GLC GLC BGC 0.456522 0.6875
57 NAG BDP NAG BDP 0.454545 0.90566
58 NAG GAL BGC 0.453608 0.9375
59 NAG GAL NAG 0.453608 1
60 GAL TNR 0.452632 0.94
61 GAL NDG FUC 0.452632 0.958333
62 NGA SER GAL 0.452632 0.94
63 A2G SER GAL 0.452632 0.94
64 GAL SER A2G 0.452632 0.94
65 FUC NAG GAL 0.452632 0.958333
66 GAL NAG FUC 0.452632 0.958333
67 FUC NDG GAL 0.452632 0.958333
68 NAG BMA NAG MAN MAN NAG NAG 0.451327 0.979592
69 BMA NGT MAN MAN 0.447619 0.661017
70 GLC GLC GLC GLC BGC 0.445783 0.6875
71 MAN MAN MAN 0.445783 0.6875
72 GLC GLC GLC GLC GLC BGC 0.445783 0.6875
73 GLC GLC GLC 0.445783 0.6875
74 NGA GLA GAL BGC 0.445545 0.9375
75 MAN MAN MAN BMA MAN 0.443299 0.6875
76 GLA BGC 0.439024 0.6875
77 BMA GLA 0.439024 0.6875
78 GLA GLC 0.439024 0.6875
79 MLB 0.439024 0.6875
80 GAL GAL 0.439024 0.6875
81 LAK 0.439024 0.6875
82 GLA BMA 0.439024 0.6875
83 MAN BMA 0.439024 0.6875
84 BGC GLA 0.439024 0.6875
85 NAG BDP NAG BDP NAG BDP 0.438596 0.923077
86 UCD 0.4375 0.882353
87 NAG MAN MAN 0.434343 0.9375
88 NAG MAN BMA 0.434343 0.9375
89 NAG GAD 0.43299 0.865385
90 GAD NDG 0.43299 0.865385
91 NGA GCD 0.43299 0.865385
92 GCD NGA 0.43299 0.865385
93 GLC GAL NAG GAL FUC A2G 0.431034 0.979592
94 A2G GAL NAG FUC GAL GLC 0.431034 0.979592
95 WZ4 0.428571 0.884615
96 FUC BGC GAL NAG GAL 0.427273 0.958333
97 NAG MAN GAL MAN MAN NAG GAL 0.427273 1
98 GAL NAG GAL FUC 0.427184 0.958333
99 GLA NAG GAL FUC 0.427184 0.958333
100 NLC 0.426966 0.9375
101 NDG GAL 0.426966 0.9375
102 GAL NDG 0.426966 0.9375
103 FUC BGC GAL NAG 0.424528 0.958333
104 GAL A2G THR 0.424242 0.96
105 GAL A2G MBN 0.42 0.882353
106 BGC BGC BGC ASO BGC BGC ASO 0.418605 0.6875
107 GLC BGC BGC BGC 0.418605 0.6875
108 GLC BGC BGC BGC BGC BGC BGC 0.418605 0.6875
109 BGC BGC BGC GLC BGC BGC 0.418605 0.6875
110 BGC BGC BGC 0.418605 0.6875
111 BGC BGC BGC BGC BGC 0.418605 0.6875
112 GAL NAG 0.417582 0.9375
113 NAG GAL 0.417582 0.9375
114 NGA GAL 0.417582 0.9375
115 MAN MMA 0.416667 0.693878
116 MAN H1M MAN 0.416667 0.653846
117 MAN MAN MAN BMA MAN MAN MAN 0.415094 0.693878
118 NAG MBG 0.413043 0.938776
119 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.410714 0.96
120 SIA NAG GAL GAL 0.409836 0.90566
121 NPO A2G GAL 0.407767 0.734375
122 GAL A2G NPO 0.407767 0.734375
123 NAG NAG BMA MAN 0.407407 0.923077
124 NAG MAN MAN MAN NAG 0.40566 1
125 KDO MAN MAN MAN MAN MAN 0.404959 0.653846
126 GLC GLC GLC GLC GLC GLC 0.404255 0.6875
127 G6S NAG 0.40404 0.725806
128 BGC GAL NAG GAL FUC FUC 0.403509 0.938776
129 GLC GAL NAG GAL FUC FUC 0.403509 0.938776
130 NAG NAG BMA MAN MAN NAG NAG 0.401639 0.90566
Ligand no: 5; Ligand: 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 1 1
2 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.763359 1
3 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.763359 1
4 SIA NAG GAL GAL 0.562963 0.981481
5 1GN ACY GAL ACY 1GN BGC GAL BGC 0.544 0.888889
6 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.544 0.888889
7 SIA GAL NAG GAL GLC 0.496644 0.981481
8 BGC GAL NAG SIA GAL 0.496644 0.981481
9 SIA GAL NAG GAL BGC 0.496644 0.981481
10 SIA GAL NAG GAL 0.493056 0.981481
11 GAL NAG SIA GAL 0.493056 0.981481
12 GAL TNR SIA 0.475524 0.963636
13 GAL SIA NGA GAL 0.465278 0.962963
14 M5S 0.453782 0.611111
15 MAN BMA MAN MAN MAN 0.453782 0.611111
16 NAG BMA MAN MAN MAN MAN 0.450382 0.833333
17 NAG GAL SIA 0.443662 0.981481
18 NAG NAG BMA MAN MAN 0.441176 0.888889
19 MAN MAN NAG MAN NAG 0.441176 0.888889
20 GAL NGA SIA GAL BGC 0.435065 0.962963
21 GAL NGA GAL BGC SIA 0.435065 0.962963
22 SIA GAL BGC NGA GAL 0.435065 0.962963
23 BGC GAL SIA NGA GAL 0.435065 0.962963
24 GAL NAG GAL BGC 0.433071 0.833333
25 LAT NAG GAL 0.433071 0.833333
26 BGC GAL NAG GAL 0.433071 0.833333
27 SIA GAL NAG SIA 0.432432 0.981481
28 GLC GLC GLC GLC 0.432203 0.611111
29 GAL NGA GLA BGC GAL 0.430769 0.833333
30 SIA NAG GAL 0.430556 0.946429
31 GAL SIA NGA GAL SIA 0.425676 0.962963
32 M5G 0.424658 0.888889
33 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.421429 0.833333
34 SIA GAL NGA GAL 0.416107 0.962963
35 GAL NGA GAL SIA 0.416107 0.962963
36 KDO MAN MAN MAN MAN MAN 0.412162 0.703704
37 MAN MAN MAN MAN 0.409836 0.611111
38 MAN MAN BMA MAN 0.409836 0.611111
39 GAL SIA 0.409091 0.944444
40 NAG GAL GAL NAG GAL 0.407692 0.888889
41 4U0 0.406897 0.925926
42 NAG NAG BMA MAN MAN MAN MAN 0.403974 0.892857
43 SIA SIA GAL NGA GAL SIA 0.4 0.945455
44 NAG MAN GAL MAN MAN NAG GAL 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JSD; Ligand: 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PEL LBT 0.01419 0.41492 5.9322
Pocket No.: 2; Query (leader) PDB : 5JSD; Ligand: ACY 1GN GAL 1GN BGC ACY GAL BGC; Similar sites found: 18
This union binding pocket(no: 2) in the query (biounit: 5jsd.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OFL NGK GCD 0.02998 0.41281 2.079
2 3K8L CEY 0.0202 0.41097 2.24215
3 3VSV XYP 0.009356 0.44204 2.50784
4 4W9N TCL 0.03564 0.41701 3.24484
5 3AJH BL3 0.006829 0.42547 4.03226
6 2ZHL NAG GAL GAL NAG 0.04007 0.40122 4.05405
7 1I7E IBS 0.03522 0.41645 4.15094
8 4ZTD ALA GLY ALA GLY ALA 0.04504 0.40896 4.34783
9 4D1J DGJ 0.03493 0.41519 4.44444
10 1CEB AMH 0.01351 0.40541 4.54545
11 5M60 BGC 0.02213 0.42629 4.86787
12 4FFG 0U8 0.01492 0.43568 4.87805
13 4K79 GAL A2G 0.01498 0.43558 5.90909
14 2PEL LBT 0.0355 0.41498 5.9322
15 4WVW SLT 0.02892 0.41408 6.94444
16 4YLZ LAT NAG GAL 0.007271 0.45328 7.84314
17 2YFB SIN 0.006285 0.43548 8.13953
18 5H9Q TD2 0.009246 0.43643 13.5484
Pocket No.: 3; Query (leader) PDB : 5JSD; Ligand: 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC; Similar sites found: 1
This union binding pocket(no: 3) in the query (biounit: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PEL LBT 0.01416 0.41498 5.9322
Pocket No.: 4; Query (leader) PDB : 5JSD; Ligand: 1GN ACY GAL ACY 1GN BGC GAL BGC; Similar sites found: 7
This union binding pocket(no: 4) in the query (biounit: 5jsd.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JWY BGC 0.02319 0.40267 2.50348
2 3VSV XYP 0.004811 0.43 2.50784
3 3AVR OGA 0.01596 0.41076 3.05981
4 4D52 GIV 0.02077 0.40447 3.49206
5 4FFG 0U8 0.001684 0.47439 4.87805
6 1P0Z FLC 0.01972 0.40482 6.87023
7 1LTT GAL BGC 0.008714 0.41704 25.2427
Pocket No.: 5; Query (leader) PDB : 5JSD; Ligand: ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC; Similar sites found: 2
This union binding pocket(no: 5) in the query (biounit: 5jsd.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PEL LAT 0.009558 0.42574 5.9322
2 2PEL LBT 0.01429 0.41477 5.9322
Pocket No.: 6; Query (leader) PDB : 5JSD; Ligand: ACY 1GN GAL 1GN BGC ACY GAL BGC; Similar sites found: 1
This union binding pocket(no: 6) in the query (biounit: 5jsd.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Y24 TD2 0.03078 0.41246 13.6364
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