Receptor
PDB id Resolution Class Description Source Keywords
2HRL 1.85 Å NON-ENZYME: SIGNAL_HORMONE SIGLEC-7 IN COMPLEX WITH GT1B HOMO SAPIENS IG-LIKE DOMAIN SIGLEC GANGLIOSIDE SIGLEC-7 CELL ADHESION
Ref.: SIGLEC-7 UNDERGOES A MAJOR CONFORMATIONAL CHANGE WH COMPLEXED WITH THE {ALPHA}(2,8)-DISIALYLGANGLIOSIDE J.BIOL.CHEM. V. 281 32774 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
SIA GAL SIA BGC NGA CEQ A:202;
Valid;
none;
submit data
1210.22 n/a [Si](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HRL 1.85 Å NON-ENZYME: SIGNAL_HORMONE SIGLEC-7 IN COMPLEX WITH GT1B HOMO SAPIENS IG-LIKE DOMAIN SIGLEC GANGLIOSIDE SIGLEC-7 CELL ADHESION
Ref.: SIGLEC-7 UNDERGOES A MAJOR CONFORMATIONAL CHANGE WH COMPLEXED WITH THE {ALPHA}(2,8)-DISIALYLGANGLIOSIDE J.BIOL.CHEM. V. 281 32774 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - SIA GAL SIA BGC NGA CEQ n/a n/a
4 2DF3 - SIA NAG GAL SIA 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 196 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - SIA GAL SIA BGC NGA CEQ n/a n/a
4 2DF3 - SIA NAG GAL SIA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - SIA GAL SIA BGC NGA CEQ n/a n/a
4 2DF3 - SIA NAG GAL SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL SIA BGC NGA CEQ; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL SIA BGC NGA CEQ 1 1
2 SIA GAL SIA GLC NGA 0.639456 0.815385
3 SIA GAL SIA BGC NGA 0.639456 0.815385
4 BGC GAL CEQ SLB NGA GAL SIA SIA 0.624204 0.923077
5 SIA SIA GLA BGC 0.594406 0.815385
6 BGC SIA SIA GAL 0.594406 0.815385
7 SIA SIA GAL NGA GAL SIA 0.577181 0.815385
8 SIA SIA GAL NGA GAL 0.552632 0.815385
9 GAL BGC SIA NGA 0.544218 0.8
10 SIA GAL BGC NGA 0.544218 0.8
11 BGC GAL SIA NGA 0.544218 0.8
12 SIA SIA GAL 0.536232 0.815385
13 GAL NGA SIA GAL BGC 0.526316 0.8
14 SIA GAL BGC NGA GAL 0.526316 0.8
15 BGC GAL SIA NGA GAL 0.526316 0.8
16 GAL NGA GAL BGC SIA 0.526316 0.8
17 GAL BGC GAL SIA NGA SIA 0.519737 0.8
18 BGC GAL SIA SIA GAL NGA 0.519737 0.8
19 BGC GAL SIA 0.496504 0.769231
20 SIA GAL GLC 0.496504 0.769231
21 GAL BGC SIA 0.496504 0.769231
22 SIA GAL BGC 0.496504 0.769231
23 SIA BGC GAL 0.496504 0.769231
24 BGC SIA GAL 0.496504 0.769231
25 GLA GLC SIA 0.496504 0.769231
26 SIA GAL NGA 0.493056 0.8
27 BGC 18C GAL NGA SIA GAL 0.491713 0.867647
28 GAL SIA NGA GAL SIA 0.489933 0.8
29 NAG SIA GAL 0.486111 0.8
30 SIA GAL NAG 0.486111 0.8
31 GAL SIA NGA GAL 0.48 0.8
32 SIA GAL BGC 16C 0.476471 0.867647
33 BGC 18C GAL SIA 0.47093 0.867647
34 SIA GAL MAG FUC 0.467532 0.8
35 SIA GAL NGA GAL 0.460526 0.8
36 GAL NGA GAL SIA 0.460526 0.8
37 SIA SIA SIA 0.460432 0.8
38 NAG FUC SIA GAL 0.458065 0.8
39 FUC NDG GAL SIA 0.458065 0.8
40 NDG FUC SIA GAL 0.458065 0.8
41 SIA GAL NDG FUC 0.458065 0.8
42 SIA GAL NAG FUC 0.458065 0.8
43 SIA GLA NAG FUC 0.458065 0.8
44 SIA SIA SIA SLB 0.455882 0.8
45 SIA SIA SIA SIA SIA SIA SIA 0.455882 0.8
46 SLB SIA SIA 0.455882 0.8
47 SLB SIA SIA SIA SIA 0.455882 0.8
48 NAG GAL NGC 0.453947 0.8
49 SIA GAL A2G 0.44898 0.8
50 NGA GAL SIA 0.44898 0.8
51 SIA SIA 0.448529 0.8
52 SLB SIA 0.448529 0.8
53 SIA GAL NDG SIA 0.448052 0.846154
54 SIA GAL NGS 0.445161 0.697368
55 SIA GAL 0.434783 0.769231
56 MN0 GAL GLC 0.430464 0.769231
57 SLT 0.422819 0.753846
58 SIA GLA NGS FUC 0.421687 0.697368
59 SIA GAL NAG SIA 0.420382 0.815385
60 Z3Q GAL 5N6 0.419753 0.763889
61 BGC GAL SIA NGA GAL SIA 0.41954 0.726027
62 SIA 2FG 0.415493 0.724638
63 NGC GAL NGA POL AZI 0.414634 0.697368
64 4U2 0.413333 0.784615
65 NAG GAL SIA 0.411765 0.815385
66 SIA GAL NAG GAL GLC 0.409639 0.815385
67 BGC GAL NAG SIA GAL 0.409639 0.815385
68 SIA GAL NAG GAL BGC 0.409639 0.815385
69 SIA 2FG NAG 0.409091 0.753623
70 GAL NAG SIA GAL 0.403727 0.815385
71 SIA GAL NAG GAL 0.403727 0.815385
72 SIA NAG GAL 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HRL; Ligand: SIA GAL SIA BGC NGA CEQ; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2hrl.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.00005737 0.47976 None
2 3IWD M2T 0.002884 0.43415 None
3 5A89 FMN 0.01901 0.42928 None
4 1RGE 2GP 0.005593 0.42423 None
5 3WG3 A2G GAL NAG FUC 0.00573 0.42091 None
6 5XDT MB3 0.01992 0.41939 None
7 5JSP DQY 0.002972 0.41157 None
8 1C1L GAL BGC 0.01015 0.40649 None
9 5N87 N66 0.004912 0.45249 1.5748
10 1I7M CG 0.00184 0.43804 1.5748
11 1SQL GUN 0.008954 0.41692 1.5748
12 3F5A SIA GAL NAG 0.008289 0.41012 1.5748
13 4L4J NAG NAG BMA MAN NAG 0.002261 0.44597 2.3622
14 1ZX5 LFR 0.005722 0.4326 2.3622
15 5IXH OTP 0.02954 0.41805 2.3622
16 1I82 BGC BGC 0.01205 0.40706 2.3622
17 4YZC STU 0.04064 0.40502 2.3622
18 4HP0 NOJ NAG NAG NAG 0.03044 0.40259 2.3622
19 1GOY 3GP 0.006317 0.42183 2.58621
20 5IXG OTP 0.03396 0.41726 3.14961
21 2D6M LBT 0.004384 0.40966 3.14961
22 3VV1 GAL FUC 0.01149 0.40081 3.14961
23 4MNS 2AX 0.02457 0.42654 3.93701
24 2HBL AMP 0.007841 0.41904 3.93701
25 3DGY 2GP 0.006984 0.41909 4.12371
26 5BYZ 4WE 0.002831 0.4599 4.72441
27 4X17 SIA SIA 0.004314 0.42044 4.72441
28 5LYH 7B8 0.0209 0.41603 4.72441
29 3BWR GAL NGA SIA GAL BGC 0.00727 0.4145 4.72441
30 4XIZ LPP 0.043 0.40062 4.72441
31 2QZ3 XYP XYP XYP 0.007725 0.42542 5.51181
32 3QRC SCR 0.002105 0.4295 6.29921
33 4P8K 38C 0.04473 0.41442 6.29921
34 5IVE 6E8 0.03356 0.40407 6.29921
35 5A3T MMK 0.03582 0.40258 6.29921
36 1UWZ THU 0.01687 0.40115 6.29921
37 5U98 1KX 0.003713 0.46443 7.07071
38 4OYA 1VE 0.02853 0.43191 7.08661
39 5DQ8 FLF 0.01391 0.4158 7.08661
40 4U31 MVP 0.03594 0.40475 7.08661
41 2GJ5 VD3 0.04678 0.40271 7.08661
42 3MTX PGT 0.04558 0.40235 7.08661
43 5TVF CGQ 0.001385 0.42446 7.87402
44 4WVW SLT 0.000977 0.44966 8.66142
45 5H9P TD2 0.005464 0.41038 8.66142
46 5F3I 5UJ 0.02124 0.43377 9.44882
47 3H0L ADP 0.008318 0.40686 9.44882
48 4DSU BZI 0.01225 0.40625 9.44882
49 4EUO ABU 0.0009581 0.4534 11.811
50 5T7I LAT NAG GAL 0.003022 0.43561 11.811
51 1KQR MNA 0.02783 0.40098 12.5984
52 1U2Z SAH 0.02705 0.40109 13.3858
53 4NS0 PIO 0.002039 0.45196 14.1732
54 4K55 H6P 0.0009616 0.45863 14.5161
55 5LRT ADP 0.01049 0.42355 17.3228
56 5L9G MO0 0.01565 0.40656 18.8976
57 5BVE 4VG 0.02977 0.429 19.685
58 4HWT 1B2 0.009301 0.4178 20.4724
59 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.01963 0.40423 23.6842
60 2BVE PH5 0.00008231 0.52827 38.5827
61 5LFV SIA GAL NAG 0.0009944 0.48018 39.3701
Feedback