Receptor
PDB id Resolution Class Description Source Keywords
1O7S 1.75 Å NON-ENZYME: SIGNAL_HORMONE HIGH RESOLUTION STRUCTURE OF SIGLEC-7 HOMO SAPIENS SIGLEC IMMUNOGLOBULIN FOLD SIALIC ACID BINDING PROTEIN LECTIN CELL ADHESION IMMUNE SYSTEM
Ref.: HIGH RESOLUTION STRUCTURES OF SIGLEC-7 - INSIGHTS INTO LIGAND SPECIFICITY IN THE SIGLEC FAMILY J.BIOL.CHEM. V. 278 3372 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:1147;
Invalid;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
NAG A:1145;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NDG A:1146;
Valid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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: NDG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 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 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
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
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