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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 LECELL ADHESION IMMUNE SYSTEM
Ref.: HIGH RESOLUTION STRUCTURES OF SIGLEC-7 - INSIGHTS I 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 286 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 209 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 174 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: 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
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 with APoc: 148
This union binding pocket(no: 1) in the query (biounit: 2hrl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1SS4 GSH None
2 4Q0P 0MK None
3 3M3E GAL A2G NPO None
4 5JSP DQY None
5 3IWD M2T None
6 5A89 FMN None
7 2UX9 FMN None
8 1RGE 2GP None
9 3WG3 A2G GAL NAG FUC None
10 5XDT MB3 None
11 5KJW 53C None
12 4IPH 1FJ None
13 4J6W CTP None
14 1C1L GAL BGC None
15 3D72 FAD None
16 1R1Q ACE ARG GLU PTR VAL ASN VAL None
17 2YJ0 420 None
18 3IS2 FAD None
19 5N87 N66 1.5748
20 1I7M CG 1.5748
21 1SQL GUN 1.5748
22 3F5A SIA GAL NAG 1.5748
23 1SU2 ATP 1.5748
24 1LBF 137 1.5748
25 4CS4 ANP 1.5748
26 3DZ6 M8E 2.3622
27 4L4J NAG NAG BMA MAN NAG 2.3622
28 1ZX5 LFR 2.3622
29 3NV3 GAL NAG MAN 2.3622
30 5IXH OTP 2.3622
31 1I82 BGC BGC 2.3622
32 4YZC STU 2.3622
33 6GNO XDI 3.14961
34 5HA0 LTD 3.14961
35 4IGQ THR M3L GLN 3.14961
36 2AMV BIN 3.14961
37 5IXG OTP 3.14961
38 1UNB PN1 3.14961
39 1UNB AKG 3.14961
40 2D6M LBT 3.14961
41 3VV1 GAL FUC 3.14961
42 1YQZ FAD 3.93701
43 2YNE NHW 3.93701
44 2YNE YNE 3.93701
45 1JG9 GLC 3.93701
46 3PE2 E1B 3.93701
47 4MNS 2AX 3.93701
48 2CYE COA 3.93701
49 5LIA 6XN 3.93701
50 4GJ3 0XP 3.93701
51 2HBL AMP 3.93701
52 2C49 ADN 3.93701
53 4Z87 GDP 3.93701
54 3DGY 2GP 4.12371
55 2VL1 GLY GLY 4.72441
56 4X17 SIA SIA 4.72441
57 4X17 SIA 4.72441
58 6D61 4AA 4.72441
59 1LZR NAG NAG NAG NAG 4.72441
60 5LYH 7B8 4.72441
61 2CM4 RCL 4.72441
62 3BWR GAL NGA SIA GAL BGC 4.72441
63 1XF1 CIT 4.72441
64 4XIZ LPP 4.72441
65 3WV6 GAL BGC 5.51181
66 2WSA 646 5.51181
67 2WSA MYA 5.51181
68 3N0Y APC 5.51181
69 5F2T PLM 5.51181
70 2ZHL NAG GAL GAL NAG 5.51181
71 4RFM 3P6 5.51181
72 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 6.29921
73 3E85 BSU 6.29921
74 3QRC SCR 6.29921
75 5Y72 DST 6.29921
76 4P8K FAD 6.29921
77 4P8K 38C 6.29921
78 5IVE 6E8 6.29921
79 5A3T MMK 6.29921
80 1UWZ THU 6.29921
81 1NBU PH2 6.72269
82 5U98 1KX 7.07071
83 6DQU GLY ILE ILE ASN THR LEU 7.08661
84 2GJ5 VD3 7.08661
85 4OYA 1VE 7.08661
86 2ART LPA AMP 7.08661
87 5DQ8 FLF 7.08661
88 6C1S EFV 7.08661
89 4RGQ NDP 7.08661
90 4U31 MVP 7.08661
91 3MTX PGT 7.08661
92 6FTB M0E 7.87402
93 5TVF CGQ 7.87402
94 5XVG 8FX 7.87402
95 3LVW GSH 7.87402
96 5FP4 YC8 7.87402
97 1BHX ASP PHE GLU GLU ILE 8.57143
98 4WVW SLT 8.66142
99 3P7N FMN 8.66142
100 3WUC GLC GAL 8.66142
101 6G9I CXX 8.66142
102 5H9P TD2 8.66142
103 1VA6 P2S 8.66142
104 1VA6 ADP 8.66142
105 5ODY 9SK 8.66142
106 6FA4 D1W 8.66142
107 4YLZ LAT NAG GAL 8.66142
108 2BKL ZAH 9.44882
109 5F3I 5UJ 9.44882
110 1GQG DCD 9.44882
111 3H0L ADP 9.44882
112 5OCG 9R5 9.44882
113 3A5Z KAA 9.44882
114 3A5Y KAA 9.44882
115 1ZB6 GST 10.2362
116 1ZB6 DIN 10.2362
117 2HKA C3S 10.2362
118 3QOX SAH 10.2362
119 43CA NPO 11.5044
120 4EUO ABU 11.811
121 5T7I LAT NAG GAL 11.811
122 3UA1 08Y 11.811
123 2Z6D FMN 12.5984
124 1KQR MNA 12.5984
125 1PZO CBT 13.3858
126 1ERB ETR 13.3858
127 1U2Z SAH 13.3858
128 4NS0 PIO 14.1732
129 5GLT BGC GAL NAG GAL 14.1732
130 5KD6 LBU 14.1732
131 5KD6 6C7 14.1732
132 4K55 H6P 14.5161
133 1FFU CDP 15.748
134 4R3U 3KK 16.5354
135 4R3U 3HC 16.5354
136 5LRT ADP 17.3228
137 1IS3 LAT 17.3228
138 5L9G MO0 18.8976
139 5VM0 9EG 19.685
140 4HWT 1B2 20.4724
141 4B7H NDP 22.8346
142 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 23.6842
143 6BE3 NAG 27.5591
144 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 28.3465
145 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 32.2835
146 5NIU 8YZ 34.6457
147 2BVE PH5 38.5827
148 5LFV SIA GAL NAG 39.3701
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