Receptor
PDB id Resolution Class Description Source Keywords
4ZH1 2.24 Å NON-ENZYME: OTHER COMPLEMENT FACTOR H IN COMPLEX WITH THE GM1 GLYCAN HOMO SAPIENS LECTIN GANGLIOSIDE INNATE IMMUNITY GLYCANS IMMUNE SYSTEM
Ref.: COMPLEMENT FACTOR H AND SIMIAN VIRUS 40 BIND THE GM GANGLIOSIDE IN DISTINCT CONFORMATIONS. GLYCOBIOLOGY V. 26 532 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GAL SIA NGA I:1;
 Valid;
 none;
 submit data
n/a n/a
BGC GAL SIA NGA GAL H:1;
 Valid;
 none;
 submit data
997.88 n/a O=C(N...
GOL A:401;
B:401;
D:1303;
C:401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GAL SIA G:1;
 Valid;
 none;
 submit data
454.405 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ONT 2.15 Å NON-ENZYME: OTHER TERNARY HOST RECOGNITION COMPLEX OF COMPLEMENT FACTOR H, C3D SIALIC ACID HOMO SAPIENS COMPLEMENT CONTROL PROTEIN CCP SHORT CONSENSUS REPEAT SCRDOMAIN COMPLEMENT REGULATION SIALIC ACID HOST GLYCAN HOSURFACE IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS FOR SIALIC ACID-MEDIATED SELF-RECO BY COMPLEMENT FACTOR H. NAT.CHEM.BIOL. V. 11 77 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4ONT - BGC GAL SIA n/a n/a
2 4ZH1 - BGC GAL SIA NGA GAL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4ONT - BGC GAL SIA n/a n/a
2 4ZH1 - BGC GAL SIA NGA GAL n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4ONT - BGC GAL SIA n/a n/a
2 4ZH1 - BGC GAL SIA NGA GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC GAL SIA NGA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BGC GAL SIA NGA GAL; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL SIA NGA GAL 1 1
2 BGC GAL SIA NGA GAL SIA 0.917431 1
3 BGC GAL SIA NGA GAL FUC 0.841667 1
4 SIA GAL NGA GAL 0.834862 1
5 BGC GAL SIA NAG 0.830357 1
6 GAL NGA GAL SIA 0.818182 1
7 BGC GAL GLA NGA GAL SIA 0.794872 1
8 GAL SIA NGA GAL SIA 0.769912 1
9 BGC GAL SIA NGA SIA 0.738095 0.981132
10 GAL NGA GAL SIA SIA 0.725806 0.981132
11 GAL SIA NGA GAL 0.724138 0.981132
12 GAL SIA NGA GAL SIA SIA 0.690476 0.981132
13 BGC GAL SIA SIA 0.674797 0.981132
14 GAL SIA NGA 0.663793 1
15 GLC GAL NGC 0.65812 0.924528
16 BGC CEQ GAL SLB NGA GAL SIA SIA 0.652482 0.83871
17 BGC GAL SIA 0.649573 0.943396
18 BGC 18C GAL SIA NGA GAL 0.642384 0.83871
19 NAG GAL SIA 0.641026 1
20 A2G GAL SIA 0.632479 1
21 BGC GAL NAG GAL SIA 0.630769 0.981132
22 GAL NAG FUC GAL SIA 0.603053 1
23 GAL NAG GAL SIA 0.6 0.981132
24 NAG GAL NGC 0.592 0.962264
25 NAG GAL SIA SIA 0.582677 0.981132
26 NAG FUC GAL SIA 0.581395 1
27 MAG FUC GAL SIA 0.581395 0.962264
28 NGS GAL SIA 0.578125 0.787879
29 NGA GAL SIA 0.576 0.980769
30 NDG GAL SIA SIA 0.55814 0.945455
31 BGC GAL NAG GAL 0.554545 0.865385
32 NAG GAL NAG GAL SIA 0.551471 0.981132
33 BGC GAL NGA GAL 0.550459 0.865385
34 BGC GAL GLA NGA GAL 0.548673 0.865385
35 NAG 2FG SIA 0.547619 0.928571
36 NGA POL GAL NGC AZI 0.532847 0.784615
37 2FG SIA 0.529915 0.892857
38 NGS FUC GLA SIA 0.528571 0.787879
39 CEQ BGC NGA GAL SIA SIA 0.526316 0.8
40 NAG GAL PKM 0.523077 0.981132
41 Z3Q GAL 5N6 0.518248 0.83871
42 BGC 16C GAL SIA 0.506579 0.83871
43 GAL 5N6 0.5 0.962264
44 NAG GAL 5N6 0.5 0.962963
45 GAL SIA SIA 0.496063 0.981132
46 BGC 18C GAL SIA 0.490323 0.83871
47 MBG NGC 0.483607 0.907407
48 BGC GAL NAG GAL FUC 0.472 0.884615
49 GLC GAL NAG GAL FUC GLA 0.465116 0.884615
50 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.456954 0.945455
51 C4W NAG FUC BMA MAN NAG GAL SIA 0.450617 0.852459
52 BGC GAL GLA NGA 0.45 0.865385
53 BGC GAL NAG GAL FUC FUC 0.446154 0.903846
54 BGC GAL NAG 0.444444 0.865385
55 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.44186 0.852459
56 GAL SIA 0.429752 0.924528
57 GLC GAL NAG GAL FUC A2G 0.426471 0.942308
58 SIA CMO 0.423423 0.87037
59 BGC GAL NGA 0.422414 0.865385
60 BGC GAL NAG NAG GAL GAL 0.412214 0.923077
61 BGC GAL GLA 0.4 0.634615
Ligand no: 3; Ligand: GAL SIA; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL SIA 1 1
2 NAG SIA 0.710843 0.909091
3 SIA CMO 0.635135 0.867925
4 BGC GAL SIA 0.608247 0.980392
5 NDG GAL SIA SIA 0.592233 0.909091
6 GAL NAG GAL SIA 0.567308 0.943396
7 NAG GAL SIA SIA 0.561905 0.943396
8 MNA 0.558442 0.849057
9 2FG SIA 0.543478 0.890909
10 SIA SIA 0.516484 0.888889
11 NAG GAL NAG GAL SIA 0.513043 0.943396
12 SLB SIA SIA SIA 0.51087 0.888889
13 SLB SIA SIA SIA SIA 0.51087 0.888889
14 SLB SIA SIA 0.51087 0.888889
15 SIA SIA SIA SIA SIA SIA SIA 0.51087 0.888889
16 GAL SIA NGA GAL 0.509259 0.943396
17 BGC GAL NAG GAL SIA 0.508621 0.943396
18 NAG GAL 5N6 0.504587 0.925926
19 GAL SIA SIA 0.5 0.907407
20 A2G GAL SIA 0.495146 0.924528
21 NAG GAL SIA 0.490385 0.924528
22 GAL SIA NGA 0.485714 0.924528
23 SIA SIA SIA 0.484536 0.888889
24 GAL 5N6 0.474747 0.924528
25 NGS GAL SIA 0.473214 0.731343
26 SIA GAL NGA GAL 0.468468 0.924528
27 GAL NGA GAL SIA 0.468468 0.924528
28 GAL SIA NGA GAL SIA 0.468468 0.924528
29 NAG FUC GAL SIA 0.464912 0.924528
30 NAG 2FG SIA 0.462963 0.859649
31 SIA 0.4625 0.86
32 SLB 0.4625 0.86
33 MBG NGC 0.454545 0.90566
34 NGA GAL SIA 0.454545 0.90566
35 CNP 0.453488 0.796296
36 MAG FUC GAL SIA 0.452174 0.888889
37 NGS FUC GLA SIA 0.45082 0.731343
38 WIA SIA 0.44898 0.892857
39 MN0 0.447059 0.849057
40 NAG GAL NGC 0.446429 0.924528
41 GAL NAG FUC GAL SIA 0.441667 0.924528
42 BGC GAL SIA NAG 0.435897 0.924528
43 BGC GAL SIA NGA GAL SIA 0.433333 0.924528
44 BGC GAL SIA SIA 0.432203 0.907407
45 BGC GAL GLA NGA GAL SIA 0.429752 0.924528
46 BGC GAL SIA NGA GAL 0.429752 0.924528
47 SID 0.426966 0.781818
48 C5P SIA 0.425 0.662162
49 MUS 0.423077 0.793103
50 GAL SIA NGA GAL SIA SIA 0.419355 0.907407
51 NXD 0.417582 0.789474
52 GAL NGA GAL SIA SIA 0.416 0.907407
53 C4W NAG FUC BMA MAN NAG GAL SIA 0.414286 0.819672
54 423 0.407407 0.636364
55 6KL 0.406977 0.77193
56 GLY PRO ALA THR PRO ALA PRO A2G SIA 0.406897 0.724638
57 NGA POL GAL NGC AZI 0.406504 0.753846
58 GLC GAL NGC 0.401786 0.923077
59 PH5 0.4 0.888889
60 425 0.4 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GAL SIA NGA; Similar ligands found: 2
No: Ligand Similarity coefficient
1 BGC GAL SIA NGA 1.0000
2 BGC NGA GAL SIA 0.9853
Ligand no: 2; Ligand: BGC GAL SIA NGA GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 3; Ligand: GAL SIA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 SIA GAL 0.9514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ONT; Ligand: BGC GAL SIA; 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: 4ont.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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