Receptor
PDB id Resolution Class Description Source Keywords
3UBE 2.15 Å NON-ENZYME: OTHER INFLUENZA HEMAGGLUTININ FROM THE 2009 PANDEMIC IN COMPLEX WI LSTC INFLUENZA A VIRUS VIRAL PROTEIN/IMMUNE SYSTEM VIRAL ENVELOPE PROTEIN HEMAGGLVIRAL FUSION PROTEIN VIRAL PROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: STRUCTURAL CHARACTERIZATION OF THE HEMAGGLUTININ RE SPECIFICITY FROM THE 2009 H1N1 INFLUENZA PANDEMIC. J.VIROL. V. 86 982 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG SIA GAL A:331;
K:604;
Valid;
Valid;
none;
none;
submit data
835.739 n/a O=C([...
NAG A:334;
A:335;
A:336;
C:334;
E:333;
J:561;
K:641;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG G:431;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG SIA GAL E:331;
I:503;
Valid;
Valid;
none;
none;
submit data
673.598 n/a O=C([...
SIA G:401;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SIA GAL NAG GAL C:330;
Valid;
none;
submit data
835.739 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UBQ 2 Å NON-ENZYME: OTHER INFLUENZA HEMAGGLUTININ FROM THE 2009 PANDEMIC IN COMPLEX WI 3SLN INFLUENZA A VIRUS VIRAL ENVELOPE PROTEIN HEMAGGLUTININ VIRAL FUSION PROTEINPROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: STRUCTURAL CHARACTERIZATION OF THE HEMAGGLUTININ RE SPECIFICITY FROM THE 2009 H1N1 INFLUENZA PANDEMIC. J.VIROL. V. 86 982 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3UBQ - SIA GAL n/a n/a
2 3UBE - NAG SIA GAL n/a n/a
3 3UBJ - SIA GAL n/a n/a
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1RVZ - SIA GAL NAG n/a n/a
2 1RVX - SIA GAL NAG n/a n/a
3 1RV0 - NDG C8 H15 N O6 CC(=O)N[C@....
4 1RVT - SIA GAL n/a n/a
5 4BH3 Kd = 12 mM SIA GAL NAG n/a n/a
6 4CQW - SIA GAL NAG n/a n/a
7 4BH0 Kd = 17 mM SIA GAL NAG n/a n/a
8 3ZNL - SIA GLA NGS FUC n/a n/a
9 1JSO - SIA C11 H19 N O9 CC(=O)N[C@....
10 3ZP2 - SIA GAL n/a n/a
11 4CQY - SIA GAL NAG n/a n/a
12 4BGX Kd = 1.7 mM SIA GAL n/a n/a
13 4CQR - SIA GAL n/a n/a
14 4BH4 Kd = 32 mM SIA GAL NAG n/a n/a
15 1JSN - SIA GAL NAG n/a n/a
16 4CQX - SIA GAL NAG n/a n/a
17 4BH1 Kd = 1.1 mM SIA GAL NAG n/a n/a
18 4KDO - SIA C11 H19 N O9 CC(=O)N[C@....
19 3ZNM - SIA GLA NAG FUC n/a n/a
20 4KDN - SIA C11 H19 N O9 CC(=O)N[C@....
21 4CQU - SIA GAL n/a n/a
22 5AJM - SIA GAL NAG n/a n/a
23 3UBQ - SIA GAL n/a n/a
24 3UBE - NAG SIA GAL n/a n/a
25 3UBJ - SIA GAL n/a n/a
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1RVZ - SIA GAL NAG n/a n/a
2 1RVX - SIA GAL NAG n/a n/a
3 1RV0 - NDG C8 H15 N O6 CC(=O)N[C@....
4 1RVT - SIA GAL n/a n/a
5 4BH3 Kd = 12 mM SIA GAL NAG n/a n/a
6 4CQW - SIA GAL NAG n/a n/a
7 4BH0 Kd = 17 mM SIA GAL NAG n/a n/a
8 3ZNL - SIA GLA NGS FUC n/a n/a
9 1JSO - SIA C11 H19 N O9 CC(=O)N[C@....
10 3ZP2 - SIA GAL n/a n/a
11 4CQY - SIA GAL NAG n/a n/a
12 4BGX Kd = 1.7 mM SIA GAL n/a n/a
13 4CQR - SIA GAL n/a n/a
14 4BH4 Kd = 32 mM SIA GAL NAG n/a n/a
15 1JSN - SIA GAL NAG n/a n/a
16 4CQX - SIA GAL NAG n/a n/a
17 4BH1 Kd = 1.1 mM SIA GAL NAG n/a n/a
18 4KDO - SIA C11 H19 N O9 CC(=O)N[C@....
19 3ZNM - SIA GLA NAG FUC n/a n/a
20 4KDN - SIA C11 H19 N O9 CC(=O)N[C@....
21 4CQU - SIA GAL n/a n/a
22 5AJM - SIA GAL NAG n/a n/a
23 4D00 - SIA GAL NAG n/a n/a
24 5TH1 - SIA GAL NAG n/a n/a
25 4CYZ - SIA GAL NAG n/a n/a
26 5TGU - SIA GAL NAG n/a n/a
27 3UBQ - SIA GAL n/a n/a
28 3UBE - NAG SIA GAL n/a n/a
29 3UBJ - SIA GAL n/a n/a
30 4N62 - SIA GAL NGS n/a n/a
31 4BSH - SIA GAL n/a n/a
32 4BSB - SIA GAL NAG n/a n/a
33 4LN8 - SIA NAG GAL GAL n/a n/a
34 4BSD - SIA GAL NAG n/a n/a
35 4LKK Kd = 0.33 uM SIA GAL n/a n/a
36 5T6S - 75U C22 H25 Br N2 O3 S CCOC(=O)c1....
37 1JSH - SIA GAL n/a n/a
38 1JSI - SIA GAL NAG GAL GLC n/a n/a
39 5XL7 - SIA GAL NAG n/a n/a
40 5XL6 - SIA C11 H19 N O9 CC(=O)N[C@....
41 5XLC - SIA C11 H19 N O9 CC(=O)N[C@....
42 5XL3 - SIA C11 H19 N O9 CC(=O)N[C@....
43 5XL4 - SIA C11 H19 N O9 CC(=O)N[C@....
44 5XLD - SIA GAL NAG n/a n/a
45 5VTY - SIA GAL n/a n/a
46 5VTR - SIA GAL NAG n/a n/a
47 5VTV - SIA GAL n/a n/a
48 5VU4 - SIA GAL n/a n/a
49 4WE5 - NAG NAG BMA n/a n/a
50 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
51 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
52 4XKF - SIA GAL NAG n/a n/a
53 5BR6 - SIA GAL NAG n/a n/a
54 4XKG - SIA GAL n/a n/a
55 4XKE - SIA GAL NAG n/a n/a
56 5T0E - SIA GAL n/a n/a
57 5T0B - SIA GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL NAG SIA GAL; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG SIA GAL 1 1
2 SIA GAL NAG GAL 1 1
3 BGC GAL NAG SIA GAL 0.839286 1
4 SIA GAL NAG GAL BGC 0.839286 1
5 SIA GAL NAG GAL GLC 0.839286 1
6 SIA NAG GAL GAL 0.779817 1
7 NAG GAL SIA 0.773585 1
8 4U1 0.663717 0.981132
9 4U0 0.654867 0.943396
10 GAL SIA 0.640777 0.962264
11 SIA NAG GAL 0.615385 0.963636
12 GAL TNR SIA 0.603306 0.981481
13 SIA GAL NAG SIA 0.572581 1
14 GAL SIA NGA GAL 0.564516 0.981132
15 SIA GAL NGA 0.558333 0.981132
16 NAG GAL GAL NAG GAL 0.551402 0.90566
17 SIA GAL NAG 0.55 0.981132
18 BGC GAL SIA 0.55 0.943396
19 SIA BGC GAL 0.55 0.943396
20 NAG SIA GAL 0.55 0.981132
21 BGC SIA GAL 0.55 0.943396
22 SIA GAL GLC 0.55 0.943396
23 GAL BGC SIA 0.55 0.943396
24 SIA GAL BGC 0.55 0.943396
25 GLA GLC SIA 0.55 0.943396
26 SIA GAL 0.545455 0.943396
27 BGC GAL SIA NGA 0.542636 0.981132
28 GAL BGC SIA NGA 0.542636 0.981132
29 SIA GAL BGC NGA 0.542636 0.981132
30 SIA GAL NDG SIA 0.535433 0.963636
31 GAL NGA GAL BGC SIA 0.533835 0.981132
32 SIA GAL BGC NGA GAL 0.533835 0.981132
33 GAL NGA SIA GAL BGC 0.533835 0.981132
34 BGC GAL SIA NGA GAL 0.533835 0.981132
35 NAG GAL NGC 0.531746 0.944444
36 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.528571 0.981481
37 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.528571 0.981481
38 GAL NGA GAL SIA 0.527559 0.981132
39 SIA GAL NGA GAL 0.527559 0.981132
40 SLT 0.520661 0.924528
41 4U2 0.520661 0.962264
42 GAL SIA NGA GAL SIA 0.515625 0.981132
43 NGA GAL SIA 0.504065 0.981132
44 SIA GAL A2G 0.504065 0.981132
45 BGC GAL SIA SIA GAL NGA 0.503704 0.981132
46 GAL BGC GAL SIA NGA SIA 0.503704 0.981132
47 SIA GAL NGS 0.496183 0.8
48 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.493056 0.981481
49 BGC SIA SIA GAL 0.492537 0.962963
50 SIA SIA GLA BGC 0.492537 0.962963
51 MN0 GAL GLC 0.492063 0.907407
52 SIA NAG 0.491379 0.928571
53 SIA 2FG 0.491379 0.877193
54 SIA GAL SIA GLC NGA 0.48951 0.962963
55 SIA GAL SIA BGC NGA 0.48951 0.962963
56 NAG FUC SIA GAL 0.488722 0.981132
57 NDG FUC SIA GAL 0.488722 0.981132
58 FUC NDG GAL SIA 0.488722 0.981132
59 SIA GAL NAG FUC 0.488722 0.981132
60 SIA GAL NDG FUC 0.488722 0.981132
61 SIA GLA NAG FUC 0.488722 0.981132
62 SIA SIA GAL 0.483871 0.962963
63 SIA 2FG NAG 0.476562 0.912281
64 SIA SIA GAL NGA GAL 0.475177 0.962963
65 SIA SIA GAL NGA GAL SIA 0.468085 0.962963
66 NAG MAN GAL MAN MAN NAG GAL 0.467213 0.90566
67 GLC GAL NAG GAL 0.464912 0.849057
68 5N6 GAL 0.46281 0.944444
69 BGC GAL SIA NGA GAL SIA 0.46 0.83871
70 NAG GAL GAL NAG 0.45614 0.90566
71 GAL NAG GAL NAG GAL NAG 0.45614 0.924528
72 SIA GAL MAG FUC 0.455882 0.944444
73 FUC BGC GAL NAG GAL 0.455285 0.867925
74 SIA GLA NGS FUC 0.454545 0.8
75 GAL NAG GAL 0.451327 0.886792
76 SIA CMO 0.447619 0.854545
77 MAN NAG GAL 0.441441 0.849057
78 GAL NAG MAN 0.441441 0.849057
79 A2G THR ALA PRO GLY GLY NAG SIA 0.441176 0.779412
80 NGA GAL 0.438095 0.849057
81 NAG GAL 0.438095 0.849057
82 GAL NAG 0.438095 0.849057
83 NGC GAL NGA POL AZI 0.43662 0.772727
84 NGC MBG 0.434426 0.890909
85 SIA GAL BGC 16C 0.429487 0.854839
86 BGC GAL CEQ SLB NGA GAL SIA SIA 0.427673 0.852459
87 BGC 18C GAL SIA 0.424051 0.854839
88 NAG NAG BMA MAN MAN 0.420635 0.90566
89 MAN MAN NAG MAN NAG 0.420635 0.90566
90 GAL NAG GAL FUC 0.420168 0.867925
91 GLA NAG GAL FUC 0.420168 0.867925
92 BGC 18C GAL NGA SIA GAL 0.415205 0.854839
93 NAG NAG BMA MAN 0.414634 0.909091
94 SIA GLY PRO ALA THR PRO ALA PRO A2G 0.412121 0.779412
95 MNA 0.411215 0.836364
96 NAG NDG BMA 0.410256 0.909091
97 NAG NAG BMA 0.410256 0.909091
98 SIA WIA 0.406504 0.912281
99 SIA GAL SIA BGC NGA CEQ 0.403727 0.815385
100 MAN BMA NAG NAG MAN NAG GAL GAL 0.401515 0.924528
101 NAG MAN MAN MAN NAG GAL NAG GAL 0.401515 0.924528
102 NAG MAN GAL BMA NDG MAN NAG GAL 0.401515 0.924528
103 NAG MAN GAL BMA NAG MAN NAG GAL 0.401515 0.924528
104 NGA GLA GAL BGC 0.4 0.849057
Ligand no: 2; Ligand: NAG SIA GAL; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NAG 1 1
2 NAG SIA GAL 1 1
3 NAG GAL NGC 0.905263 0.962264
4 SIA GAL BGC 0.831579 0.961538
5 SIA BGC GAL 0.831579 0.961538
6 GAL BGC SIA 0.831579 0.961538
7 GLA GLC SIA 0.831579 0.961538
8 BGC GAL SIA 0.831579 0.961538
9 BGC SIA GAL 0.831579 0.961538
10 SIA GAL GLC 0.831579 0.961538
11 4U2 0.829787 0.980769
12 SIA GAL NGS 0.821782 0.8125
13 SIA GAL A2G 0.783505 1
14 NGA GAL SIA 0.783505 1
15 GAL NGA GAL SIA 0.75 1
16 SIA GAL NGA GAL 0.75 1
17 SIA SIA GLA BGC 0.724771 0.981132
18 BGC SIA SIA GAL 0.724771 0.981132
19 SIA GAL NAG FUC 0.722222 1
20 NAG FUC SIA GAL 0.722222 1
21 NDG FUC SIA GAL 0.722222 1
22 SIA GAL NDG FUC 0.722222 1
23 SIA GLA NAG FUC 0.722222 1
24 FUC NDG GAL SIA 0.722222 1
25 GAL SIA NGA GAL SIA 0.716981 1
26 SIA GAL NAG SIA 0.71028 0.981132
27 MN0 GAL GLC 0.708738 0.924528
28 BGC GAL SIA SIA GAL NGA 0.705357 1
29 GAL BGC GAL SIA NGA SIA 0.705357 1
30 SIA GAL 0.698925 0.961538
31 NAG GAL SIA 0.692308 0.981132
32 SLT 0.686275 0.942308
33 SIA GAL NDG SIA 0.678899 0.945455
34 SIA SIA GAL NGA GAL 0.661017 0.981132
35 SIA GAL MAG FUC 0.660714 0.962264
36 SIA 2FG 0.642857 0.892857
37 GAL NGA SIA GAL BGC 0.641026 1
38 GAL NGA GAL BGC SIA 0.641026 1
39 BGC GAL SIA NGA GAL 0.641026 1
40 SIA GAL BGC NGA GAL 0.641026 1
41 SIA SIA GAL NGA GAL SIA 0.638655 0.981132
42 SIA GLA NGS FUC 0.633333 0.8125
43 4U1 0.62963 0.962264
44 SIA GAL BGC NGA 0.626087 1
45 BGC GAL SIA NGA 0.626087 1
46 GAL BGC SIA NGA 0.626087 1
47 GAL SIA NGA GAL 0.625 1
48 SIA 2FG NAG 0.623853 0.928571
49 BGC GAL SIA NGA GAL SIA 0.617188 0.852459
50 NGC MBG 0.613861 0.907407
51 NGC GAL NGA POL AZI 0.613445 0.784615
52 SIA SIA GAL 0.607477 0.981132
53 SIA GAL NGA 0.605505 1
54 5N6 GAL 0.601942 0.962264
55 SIA GAL BGC 16C 0.586466 0.83871
56 BGC GAL NAG SIA GAL 0.577236 0.981132
57 SIA GAL NAG GAL GLC 0.577236 0.981132
58 SIA GAL NAG GAL BGC 0.577236 0.981132
59 Z3Q GAL 5N6 0.570248 0.83871
60 BGC 18C GAL SIA 0.566176 0.83871
61 SIA GAL SIA BGC NGA 0.55814 0.981132
62 SIA GAL SIA GLC NGA 0.55814 0.981132
63 GAL NAG SIA GAL 0.55 0.981132
64 SIA GAL NAG GAL 0.55 0.981132
65 BGC GAL CEQ SLB NGA GAL SIA SIA 0.546763 0.866667
66 SIA NAG GAL 0.53913 0.945455
67 4U0 0.521739 0.924528
68 SIA NAG GAL GAL 0.516667 0.981132
69 SIA CMO 0.505376 0.87037
70 GAL TNR SIA 0.504132 0.962963
71 GAL SIA 0.495238 0.943396
72 MAN BMA NAG 0.489796 0.865385
73 NAG GAL GAL 0.489796 0.865385
74 GLA GAL NAG 0.489796 0.865385
75 SIA GAL SIA BGC NGA CEQ 0.486111 0.8
76 NDG GAL 0.473118 0.865385
77 GAL NDG 0.473118 0.865385
78 NLC 0.473118 0.865385
79 NAG GAL GAL NAG 0.466667 0.923077
80 GAL NAG GAL NAG GAL NAG 0.466667 0.942308
81 NAG GAL NAG 0.466019 0.923077
82 BGC 18C GAL NGA SIA GAL 0.464968 0.83871
83 MNA 0.447917 0.851852
84 SIA SIA 0.440367 0.962264
85 SLB SIA 0.440367 0.962264
86 SIA NAG 0.4375 0.910714
87 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.962264
88 SLB SIA SIA SIA SIA 0.436364 0.962264
89 SIA SIA SIA SLB 0.436364 0.962264
90 SLB SIA SIA 0.436364 0.962264
91 NAG FUC 0.43299 0.846154
92 SIA SIA SIA 0.429825 0.962264
93 G6S NAG 0.419048 0.734375
94 UNU GAL NAG 0.418182 0.90566
95 NAG NDG 0.414141 0.923077
96 NAG GDL 0.414141 0.923077
97 CBS 0.414141 0.923077
98 CBS CBS 0.414141 0.923077
99 SIA WIA 0.412281 0.894737
100 NAG BMA MAN MAN MAN MAN 0.412281 0.865385
101 NAG NAG NAG NDG 0.411765 0.942308
102 NAG NAG NAG NAG 0.411765 0.942308
103 NDG NAG NAG 0.411765 0.942308
104 NAG NAG NAG NAG NAG NAG NAG NAG 0.411765 0.942308
105 NDG NAG NAG NDG 0.411765 0.942308
106 NDG NAG NAG NAG 0.411765 0.942308
107 NAG NAG NAG NAG NDG 0.411765 0.942308
108 NAG NAG NDG 0.411765 0.942308
109 NAG NAG NAG 0.411765 0.942308
110 NAG NAG NAG NAG NDG NAG 0.411765 0.942308
111 NAG NAG NAG NAG NAG 0.411765 0.942308
112 NAG NAG NAG NAG NAG NAG 0.411765 0.942308
113 NDG NAG NAG NDG NAG 0.411765 0.942308
114 CTO 0.411765 0.942308
115 TCG 0.407407 0.864407
116 CTO TMX 0.407407 0.864407
117 MAN MAN NAG MAN NAG 0.403361 0.923077
118 NAG NAG BMA MAN MAN 0.403361 0.923077
Ligand no: 3; Ligand: SIA; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 DAN 0.4 0.911111
Ligand no: 4; Ligand: SIA GAL NAG GAL; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG SIA GAL 1 1
2 SIA GAL NAG GAL 1 1
3 BGC GAL NAG SIA GAL 0.839286 1
4 SIA GAL NAG GAL BGC 0.839286 1
5 SIA GAL NAG GAL GLC 0.839286 1
6 SIA NAG GAL GAL 0.779817 1
7 NAG GAL SIA 0.773585 1
8 4U1 0.663717 0.981132
9 4U0 0.654867 0.943396
10 GAL SIA 0.640777 0.962264
11 SIA NAG GAL 0.615385 0.963636
12 GAL TNR SIA 0.603306 0.981481
13 SIA GAL NAG SIA 0.572581 1
14 GAL SIA NGA GAL 0.564516 0.981132
15 SIA GAL NGA 0.558333 0.981132
16 NAG GAL GAL NAG GAL 0.551402 0.90566
17 SIA GAL NAG 0.55 0.981132
18 BGC GAL SIA 0.55 0.943396
19 SIA BGC GAL 0.55 0.943396
20 NAG SIA GAL 0.55 0.981132
21 BGC SIA GAL 0.55 0.943396
22 SIA GAL GLC 0.55 0.943396
23 GAL BGC SIA 0.55 0.943396
24 SIA GAL BGC 0.55 0.943396
25 GLA GLC SIA 0.55 0.943396
26 SIA GAL 0.545455 0.943396
27 BGC GAL SIA NGA 0.542636 0.981132
28 GAL BGC SIA NGA 0.542636 0.981132
29 SIA GAL BGC NGA 0.542636 0.981132
30 SIA GAL NDG SIA 0.535433 0.963636
31 GAL NGA GAL BGC SIA 0.533835 0.981132
32 SIA GAL BGC NGA GAL 0.533835 0.981132
33 GAL NGA SIA GAL BGC 0.533835 0.981132
34 BGC GAL SIA NGA GAL 0.533835 0.981132
35 NAG GAL NGC 0.531746 0.944444
36 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.528571 0.981481
37 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.528571 0.981481
38 GAL NGA GAL SIA 0.527559 0.981132
39 SIA GAL NGA GAL 0.527559 0.981132
40 SLT 0.520661 0.924528
41 4U2 0.520661 0.962264
42 GAL SIA NGA GAL SIA 0.515625 0.981132
43 NGA GAL SIA 0.504065 0.981132
44 SIA GAL A2G 0.504065 0.981132
45 BGC GAL SIA SIA GAL NGA 0.503704 0.981132
46 GAL BGC GAL SIA NGA SIA 0.503704 0.981132
47 SIA GAL NGS 0.496183 0.8
48 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.493056 0.981481
49 BGC SIA SIA GAL 0.492537 0.962963
50 SIA SIA GLA BGC 0.492537 0.962963
51 MN0 GAL GLC 0.492063 0.907407
52 SIA NAG 0.491379 0.928571
53 SIA 2FG 0.491379 0.877193
54 SIA GAL SIA GLC NGA 0.48951 0.962963
55 SIA GAL SIA BGC NGA 0.48951 0.962963
56 NAG FUC SIA GAL 0.488722 0.981132
57 NDG FUC SIA GAL 0.488722 0.981132
58 FUC NDG GAL SIA 0.488722 0.981132
59 SIA GAL NAG FUC 0.488722 0.981132
60 SIA GAL NDG FUC 0.488722 0.981132
61 SIA GLA NAG FUC 0.488722 0.981132
62 SIA SIA GAL 0.483871 0.962963
63 SIA 2FG NAG 0.476562 0.912281
64 SIA SIA GAL NGA GAL 0.475177 0.962963
65 SIA SIA GAL NGA GAL SIA 0.468085 0.962963
66 NAG MAN GAL MAN MAN NAG GAL 0.467213 0.90566
67 GLC GAL NAG GAL 0.464912 0.849057
68 5N6 GAL 0.46281 0.944444
69 BGC GAL SIA NGA GAL SIA 0.46 0.83871
70 NAG GAL GAL NAG 0.45614 0.90566
71 GAL NAG GAL NAG GAL NAG 0.45614 0.924528
72 SIA GAL MAG FUC 0.455882 0.944444
73 FUC BGC GAL NAG GAL 0.455285 0.867925
74 SIA GLA NGS FUC 0.454545 0.8
75 GAL NAG GAL 0.451327 0.886792
76 SIA CMO 0.447619 0.854545
77 MAN NAG GAL 0.441441 0.849057
78 GAL NAG MAN 0.441441 0.849057
79 A2G THR ALA PRO GLY GLY NAG SIA 0.441176 0.779412
80 NGA GAL 0.438095 0.849057
81 NAG GAL 0.438095 0.849057
82 GAL NAG 0.438095 0.849057
83 NGC GAL NGA POL AZI 0.43662 0.772727
84 NGC MBG 0.434426 0.890909
85 SIA GAL BGC 16C 0.429487 0.854839
86 BGC GAL CEQ SLB NGA GAL SIA SIA 0.427673 0.852459
87 BGC 18C GAL SIA 0.424051 0.854839
88 NAG NAG BMA MAN MAN 0.420635 0.90566
89 MAN MAN NAG MAN NAG 0.420635 0.90566
90 GAL NAG GAL FUC 0.420168 0.867925
91 GLA NAG GAL FUC 0.420168 0.867925
92 BGC 18C GAL NGA SIA GAL 0.415205 0.854839
93 NAG NAG BMA MAN 0.414634 0.909091
94 SIA GLY PRO ALA THR PRO ALA PRO A2G 0.412121 0.779412
95 MNA 0.411215 0.836364
96 NAG NDG BMA 0.410256 0.909091
97 NAG NAG BMA 0.410256 0.909091
98 SIA WIA 0.406504 0.912281
99 SIA GAL SIA BGC NGA CEQ 0.403727 0.815385
100 MAN BMA NAG NAG MAN NAG GAL GAL 0.401515 0.924528
101 NAG MAN MAN MAN NAG GAL NAG GAL 0.401515 0.924528
102 NAG MAN GAL BMA NDG MAN NAG GAL 0.401515 0.924528
103 NAG MAN GAL BMA NAG MAN NAG GAL 0.401515 0.924528
104 NGA GLA GAL BGC 0.4 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UBQ; Ligand: SIA GAL; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 3ubq.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4L3L 5FI 0.01569 0.40844 4.51977
2 5JCA NDP 0.04741 0.40952 5.64972
3 3G6K POP 0.02093 0.4048 6.16883
4 3G6K FAD 0.01867 0.4048 6.16883
5 3VHH VHH 0.04116 0.40903 8.13008
6 4PIO SAH 0.02771 0.40212 10.7345
7 4PIO AVI 0.02729 0.40139 10.7345
8 1OFD AKG 0.006838 0.43086 13.5593
9 1OFD FMN 0.00778 0.4304 13.5593
10 5E65 5N6 GAL 0.005526 0.44096 42.7711
Pocket No.: 2; Query (leader) PDB : 3UBQ; Ligand: SIA GAL; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 3ubq.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BFF FPM 0.009668 0.43824 3.9548
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