Receptor
PDB id Resolution Class Description Source Keywords
4CYZ 2.4 Å NON-ENZYME: OTHER STRUCTURE OF THE A_MALLARD_SWEDEN_51_2002 H10 AVIAN HAEMMAGLUTININ IN COMPLEX WITH AVIAN RECEPTOR ANALOG LSTA INFLUENZA A VIRUS (A/MALLARD/SWEDEN/51 (H10N2)) VIRAL PROTEIN
Ref.: RECEPTOR BINDING BY H10 INFLUENZA VIRUSES. NATURE V. 511 475 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO E:1326;
A:1327;
E:1328;
E:1327;
F:1174;
A:1328;
F:1173;
B:1173;
A:1326;
C:1327;
C:1326;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SIA GAL NAG A:409;
Valid;
none;
submit data
657.599 n/a O=C(N...
NAG B:208;
A:420;
A:401;
C:420;
B:211;
E:401;
Valid;
Invalid;
Invalid;
Invalid;
Valid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA MAN MAN D:201;
B:201;
Invalid;
Invalid;
none;
none;
submit data
910.826 n/a O=C(N...
NAG NAG C:401;
Invalid;
none;
submit data
408.404 n/a O=C(N...
SIA GAL E:409;
Valid;
none;
submit data
454.405 n/a O=C(N...
NAG NAG BMA MAN F:201;
Invalid;
none;
submit data
732.686 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D00 2.5 Å NON-ENZYME: OTHER HAEMAGGLUTININ OF H10N8 INFLUENZA VIRUS ISOLATED FROM HUMANS IN COMPLEX WITH HUMAN RECEPTOR ANALOGUE 6'SLN INFLUENZA VIRUS A/JIANGXI- DONGHU/346/ (H10N8) VIRAL PROTEIN H10N8 INFLUENZA SIALIC ACID GLYCOPROTEIN RECEPTOR AVIAN FLU SIALYLLACTOSAMINE LSTA
Ref.: RECEPTOR BINDING BY H10 INFLUENZA VIRUSES. NATURE V. 511 475 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4D00 - SIA GAL NAG n/a n/a
2 5TH1 - SIA GAL NAG n/a n/a
3 4CYZ - SIA GAL NAG n/a n/a
4 5TGU - SIA GAL NAG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4D00 - SIA GAL NAG n/a n/a
2 5TH1 - SIA GAL NAG n/a n/a
3 4CYZ - SIA GAL NAG n/a n/a
4 5TGU - SIA GAL NAG n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 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 6BKQ - SIA GAL n/a n/a
51 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
52 6BKT - SIA GAL NAG n/a n/a
53 6AOS - SIA GAL NAG n/a n/a
54 6BKS - SIA C11 H19 N O9 CC(=O)N[C@....
55 6AOT - SIA GAL n/a n/a
56 6AOV - SIA GAL NAG GAL NAG n/a n/a
57 6BKR - SIA GAL NAG n/a n/a
58 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
59 5VMF Kd = 0.305 uM SIA GAL NAG n/a n/a
60 5VMC - SIA GAL NAG n/a n/a
61 5VMG - SIA GAL n/a n/a
62 4XKF - SIA GAL NAG n/a n/a
63 5BR6 - SIA GAL NAG n/a n/a
64 4XKG - SIA GAL n/a n/a
65 4XKE - SIA GAL NAG n/a n/a
66 5T0E - SIA GAL n/a n/a
67 5T0B - SIA GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL NAG; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NAG 1 1
2 GAL BGC SIA 0.752475 0.909091
3 NAG SIA GAL 0.752475 0.945455
4 GLA GLC SIA 0.752475 0.909091
5 BGC SIA GAL 0.752475 0.909091
6 SIA GAL BGC 0.752475 0.909091
7 SIA GAL GLC 0.752475 0.909091
8 BGC GAL SIA 0.752475 0.909091
9 SIA GAL NDG SIA 0.738318 1
10 SIA GAL A2G 0.72549 0.945455
11 NGA GAL SIA 0.72549 0.945455
12 SIA GAL NAG GAL 0.71028 0.963636
13 NAG GAL NGC 0.688073 0.945455
14 SIA GAL NGS 0.684685 0.753623
15 GAL SIA NGA GAL SIA 0.666667 0.945455
16 SIA SIA GLA BGC 0.66087 0.928571
17 BGC SIA SIA GAL 0.66087 0.928571
18 SIA GAL NAG SIA 0.660714 0.963636
19 GAL SIA 0.659794 0.909091
20 BGC GAL SIA SIA GAL NGA 0.65812 0.945455
21 BGC GAL SIA NGA GAL SIA 0.65812 0.945455
22 NDG FUC SIA GAL 0.643478 0.945455
23 SIA GAL NDG FUC 0.643478 0.945455
24 NAG FUC SIA GAL 0.643478 0.945455
25 SIA GLA NAG FUC 0.643478 0.945455
26 SIA GAL NAG FUC 0.643478 0.945455
27 FUC NDG GAL SIA 0.643478 0.945455
28 MN0 GAL GLC 0.642202 0.909091
29 SIA GAL 0.63 0.909091
30 SIA GAL MAG FUC 0.62931 0.910714
31 GAL NGA GAL SIA 0.622807 0.963636
32 4U2 0.62037 0.927273
33 SLT 0.62037 0.890909
34 SIA 2FG 0.607843 0.847458
35 SIA SIA GAL NGA GAL 0.604839 0.928571
36 BGC GAL SIA NGA GAL 0.598361 0.945455
37 GAL NGA SIA GAL BGC 0.598361 0.945455
38 GAL NGA GAL BGC SIA 0.598361 0.945455
39 SIA GAL BGC NGA GAL 0.598361 0.945455
40 SIA SIA GAL NGA GAL SIA 0.596774 0.928571
41 NGC MBG 0.596154 0.892857
42 SIA NAG GAL 0.59292 1
43 SIA GLA NGS FUC 0.592 0.753623
44 NGC GAL NGA POL AZI 0.585366 0.776119
45 BGC GAL SIA NGA 0.583333 0.945455
46 SIA GAL BGC NGA 0.583333 0.945455
47 GAL BGC SIA NGA 0.583333 0.945455
48 SIA GAL NGA GAL 0.581197 0.945455
49 GAL SIA NGA GAL 0.581197 0.945455
50 SIA 2FG NAG 0.578947 0.881356
51 SIA SIA GAL 0.576577 0.928571
52 SIA GAL NGA 0.561404 0.945455
53 SIA GAL BGC 16C 0.539568 0.887097
54 BGC GAL CEQ SLB NGA GAL SIA SIA 0.535211 0.8
55 BGC 18C GAL SIA 0.531915 0.887097
56 SIA GAL SIA BGC NGA 0.522388 0.928571
57 SIA GAL SIA GLC NGA 0.522388 0.928571
58 NAG GAL SIA 0.516949 0.963636
59 SIA GAL NAG GAL GLC 0.503817 0.963636
60 SIA GAL NAG GAL BGC 0.503817 0.963636
61 BGC GAL NAG SIA GAL 0.503817 0.963636
62 SIA NAG GAL GAL 0.491935 0.963636
63 NAG NAG BMA BMA 0.490741 0.946429
64 NAG BMA 0.489583 0.872727
65 GAL NAG SIA GAL 0.488189 0.963636
66 GAL TNR SIA 0.488 0.964286
67 SIA GAL SIA BGC NGA CEQ 0.486301 0.846154
68 NAG NAG BMA MAN 0.473214 0.945455
69 4U0 0.471074 0.909091
70 4U1 0.467213 0.945455
71 NAG NDG BMA 0.457944 0.945455
72 NAG NAG BMA 0.457944 0.945455
73 SIA NAG 0.451327 0.964286
74 BGC 18C GAL NGA SIA GAL 0.447205 0.887097
75 NAG NAG 0.441176 0.927273
76 NAG NDG 0.441176 0.927273
77 MNA 0.434343 0.807018
78 SLB SIA 0.428571 0.910714
79 SIA SIA 0.428571 0.910714
80 NAG NAG NAG 0.425926 0.963636
81 NAG NAG NAG NAG 0.425926 0.963636
82 SLB SIA SIA 0.424779 0.910714
83 SIA SIA SIA SIA SIA SIA SIA 0.424779 0.910714
84 SIA SIA SIA 0.418803 0.910714
85 SIA WIA 0.401709 0.881356
Ligand no: 2; Ligand: NAG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Ligand no: 3; Ligand: SIA GAL; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL 1 1
2 GAL SIA 0.714286 0.960784
3 SIA GAL NAG GAL 0.693878 0.943396
4 SIA 2FG 0.689655 0.890909
5 NAG SIA GAL 0.632653 0.924528
6 GAL NGA GAL SIA 0.631068 0.943396
7 SIA GAL NAG 0.63 0.909091
8 NGA GAL SIA 0.622449 0.924528
9 SIA GAL A2G 0.622449 0.924528
10 BGC SIA GAL 0.616162 0.960784
11 SIA GAL GLC 0.616162 0.960784
12 GAL BGC SIA 0.616162 0.960784
13 BGC GAL SIA 0.616162 0.960784
14 GLA GLC SIA 0.616162 0.960784
15 SIA GAL BGC 0.616162 0.960784
16 SIA 2FG NAG 0.613861 0.859649
17 SIA SIA GAL 0.612245 0.907407
18 SIA GAL NDG SIA 0.59434 0.909091
19 SIA GAL NGA 0.594059 0.924528
20 NGC MBG 0.585106 0.90566
21 NAG GAL NGC 0.575472 0.924528
22 SIA GAL NGS 0.574074 0.731343
23 SIA GAL NGA GAL 0.570093 0.924528
24 GAL SIA NGA GAL 0.570093 0.924528
25 GAL SIA NGA GAL SIA 0.570093 0.924528
26 SIA GAL NAG SIA 0.564815 0.943396
27 SIA GLA NAG FUC 0.54955 0.924528
28 SIA GAL NAG FUC 0.54955 0.924528
29 FUC NDG GAL SIA 0.54955 0.924528
30 NAG FUC SIA GAL 0.54955 0.924528
31 SIA GAL NDG FUC 0.54955 0.924528
32 NDG FUC SIA GAL 0.54955 0.924528
33 BGC SIA SIA GAL 0.539823 0.907407
34 SIA SIA GLA BGC 0.539823 0.907407
35 SIA NAG GAL 0.537736 0.909091
36 SIA GAL MAG FUC 0.535714 0.888889
37 SIA NAG 0.53125 0.909091
38 SIA GAL BGC NGA 0.530973 0.924528
39 GAL BGC SIA NGA 0.530973 0.924528
40 BGC GAL SIA NGA 0.530973 0.924528
41 BGC GAL SIA SIA GAL NGA 0.525862 0.924528
42 BGC GAL SIA NGA GAL SIA 0.525862 0.924528
43 MNA 0.52439 0.849057
44 GAL NGA GAL BGC SIA 0.521368 0.924528
45 SIA GAL BGC NGA GAL 0.521368 0.924528
46 BGC GAL SIA NGA GAL 0.521368 0.924528
47 GAL NGA SIA GAL BGC 0.521368 0.924528
48 4U2 0.519231 0.90566
49 NAG GAL SIA 0.514019 0.943396
50 MN0 GAL GLC 0.514019 0.923077
51 GAL TNR SIA 0.508929 0.909091
52 NGC GAL NGA POL AZI 0.508475 0.753846
53 SIA SIA GAL NGA GAL SIA 0.508333 0.907407
54 SLT 0.504762 0.941176
55 SIA SIA GAL NGA GAL 0.504132 0.907407
56 SIA GLA NGS FUC 0.504132 0.731343
57 SIA SIA 0.489583 0.888889
58 SLB SIA 0.489583 0.888889
59 SIA NAG GAL GAL 0.486726 0.943396
60 SLB SIA SIA 0.484536 0.888889
61 SIA SIA SIA SIA SIA SIA SIA 0.484536 0.888889
62 SIA GAL SIA GLC NGA 0.472441 0.907407
63 SIA GAL SIA BGC NGA 0.472441 0.907407
64 GAL NAG SIA GAL 0.470085 0.943396
65 SIA SIA SIA 0.460784 0.888889
66 4U1 0.459459 0.924528
67 4U0 0.45045 0.960784
68 SIA GAL BGC 16C 0.448529 0.806452
69 BGC 18C GAL SIA 0.442029 0.806452
70 SIA WIA 0.441176 0.892857
71 SIA GAL NAG GAL GLC 0.44 0.943396
72 BGC GAL NAG SIA GAL 0.44 0.943396
73 SIA GAL NAG GAL BGC 0.44 0.943396
74 SLB 0.435294 0.86
75 SIA 0.435294 0.86
76 CNP 0.428571 0.796296
77 BGC GAL CEQ SLB NGA GAL SIA SIA 0.425532 0.777778
78 MN0 0.422222 0.849057
79 SIA GAL SIA BGC NGA CEQ 0.41844 0.769231
80 MUS 0.416667 0.793103
81 NXD 0.410526 0.789474
82 SID 0.404255 0.781818
83 BND 0.401961 0.803571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D00; Ligand: SIA GAL NAG; 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: 4d00.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4D00; Ligand: SIA GAL NAG; 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: 4d00.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4D00; Ligand: SIA GAL NAG; 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: 4d00.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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