Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:402;
A:401;
B:403;
B:401;
B:402;
E:1304;
C:401;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SIA GAL BGC E:1301;
D:1301;
Valid;
Valid;
none;
none;
submit data
632.545 n/a O=C([...
SIA BGC GAL F:1301;
Valid;
none;
submit data
632.545 n/a O=C([...
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 1256 families.
1 4ONT - SIA GAL BGC 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 1068 families.
1 4ONT - SIA GAL BGC 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 922 families.
1 4ONT - SIA GAL BGC n/a n/a
2 4ZH1 - BGC GAL SIA NGA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL BGC; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA GAL 1 1
2 SIA GAL GLC 1 1
3 GAL BGC SIA 1 1
4 GLA GLC SIA 1 1
5 BGC GAL SIA 1 1
6 SIA BGC GAL 1 1
7 SIA GAL BGC 1 1
8 GAL NGA GAL SIA 0.895833 0.961538
9 SIA GAL NGA GAL 0.895833 0.961538
10 BGC SIA SIA GAL 0.861386 0.943396
11 SIA SIA GLA BGC 0.861386 0.943396
12 MN0 GAL GLC 0.852632 0.960784
13 GAL BGC GAL SIA NGA SIA 0.836538 0.961538
14 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
15 SIA GAL NAG 0.831579 0.961538
16 NAG SIA GAL 0.831579 0.961538
17 SLT 0.829787 0.98
18 SIA SIA GAL NGA GAL 0.781818 0.943396
19 SIA GAL A2G 0.765306 0.961538
20 NGA GAL SIA 0.765306 0.961538
21 GAL NGA GAL BGC SIA 0.761468 0.961538
22 GAL NGA SIA GAL BGC 0.761468 0.961538
23 SIA GAL BGC NGA GAL 0.761468 0.961538
24 BGC GAL SIA NGA GAL 0.761468 0.961538
25 NAG GAL NGC 0.757282 0.961538
26 GAL SIA NGA GAL SIA 0.75 0.961538
27 BGC GAL SIA NGA 0.747664 0.961538
28 GAL BGC SIA NGA 0.747664 0.961538
29 SIA GAL BGC NGA 0.747664 0.961538
30 SIA GAL NGS 0.735849 0.78125
31 BGC GAL SIA NGA GAL SIA 0.725 0.819672
32 SIA GAL 0.717391 1
33 SIA GAL NAG SIA 0.694444 0.943396
34 SIA GLA NAG FUC 0.690909 0.961538
35 SIA GAL NDG FUC 0.690909 0.961538
36 NDG FUC SIA GAL 0.690909 0.961538
37 SIA GAL NAG FUC 0.690909 0.961538
38 FUC NDG GAL SIA 0.690909 0.961538
39 NAG FUC SIA GAL 0.690909 0.961538
40 4U2 0.686275 0.942308
41 SIA GAL NDG SIA 0.678899 0.909091
42 GAL SIA NGA GAL 0.669725 0.961538
43 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
44 SIA GAL SIA GLC NGA 0.661157 0.943396
45 SIA GAL SIA BGC NGA 0.661157 0.943396
46 SIA GAL MAG FUC 0.660714 0.924528
47 SIA GAL NAG GAL GLC 0.65812 0.943396
48 BGC GAL NAG SIA GAL 0.65812 0.943396
49 SIA GAL NAG GAL BGC 0.65812 0.943396
50 SIA 2FG 0.642857 0.925926
51 SIA GAL NGA 0.635514 0.961538
52 4U0 0.635514 0.960784
53 SIA GLA NGS FUC 0.633333 0.78125
54 SIA SIA GAL 0.622642 0.943396
55 5N6 GAL 0.617647 0.961538
56 NGC MBG 0.613861 0.942308
57 SIA 2FG NAG 0.609091 0.892857
58 NGC GAL NGA POL AZI 0.6 0.78125
59 SIA GAL BGC 16C 0.598485 0.806452
60 NAG GAL SIA 0.585586 0.943396
61 Z3Q GAL 5N6 0.583333 0.806452
62 BGC 18C GAL SIA 0.577778 0.806452
63 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.833333
64 SIA NAG GAL 0.552632 0.909091
65 GAL NAG SIA GAL 0.55 0.943396
66 SIA GAL NAG GAL 0.55 0.943396
67 SIA NAG GAL GAL 0.542373 0.943396
68 GAL SIA 0.539216 0.980392
69 4U1 0.530435 0.924528
70 GAL TNR SIA 0.516667 0.925926
71 SIA CMO 0.505376 0.867925
72 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
73 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
74 NAG GAL BGC 0.466019 0.9
75 GLC GAL NAG GAL 0.462264 0.9
76 LAT NAG GAL 0.457143 0.9
77 GAL NAG GAL BGC 0.457143 0.9
78 BGC GAL NAG GAL 0.457143 0.9
79 MNA 0.447917 0.849057
80 NGA GLA GAL BGC 0.444444 0.9
81 SLB SIA 0.440367 0.924528
82 GAL NGA GLA BGC GAL 0.440367 0.9
83 SIA SIA 0.440367 0.924528
84 SIA NAG 0.4375 0.875
85 SLB SIA SIA 0.436364 0.924528
86 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
87 SIA SIA SIA SLB 0.436364 0.924528
88 SLB SIA SIA SIA SIA 0.436364 0.924528
89 SIA SIA SIA 0.429825 0.924528
90 NGA GAL BGC 0.413462 0.9
91 SIA WIA 0.412281 0.892857
92 FUC GAL NAG GAL BGC 0.40678 0.882353
93 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
94 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
95 MUS 0.403361 0.793103
96 GLA GAL BGC 0.402062 0.66
97 SLB 0.402062 0.86
98 SIA 0.402062 0.86
99 GLA GAL GAL 0.402062 0.66
Ligand no: 2; Ligand: SIA BGC GAL; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA GAL 1 1
2 SIA GAL GLC 1 1
3 GAL BGC SIA 1 1
4 GLA GLC SIA 1 1
5 BGC GAL SIA 1 1
6 SIA BGC GAL 1 1
7 SIA GAL BGC 1 1
8 GAL NGA GAL SIA 0.895833 0.961538
9 SIA GAL NGA GAL 0.895833 0.961538
10 BGC SIA SIA GAL 0.861386 0.943396
11 SIA SIA GLA BGC 0.861386 0.943396
12 MN0 GAL GLC 0.852632 0.960784
13 GAL BGC GAL SIA NGA SIA 0.836538 0.961538
14 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
15 SIA GAL NAG 0.831579 0.961538
16 NAG SIA GAL 0.831579 0.961538
17 SLT 0.829787 0.98
18 SIA SIA GAL NGA GAL 0.781818 0.943396
19 SIA GAL A2G 0.765306 0.961538
20 NGA GAL SIA 0.765306 0.961538
21 GAL NGA GAL BGC SIA 0.761468 0.961538
22 GAL NGA SIA GAL BGC 0.761468 0.961538
23 SIA GAL BGC NGA GAL 0.761468 0.961538
24 BGC GAL SIA NGA GAL 0.761468 0.961538
25 NAG GAL NGC 0.757282 0.961538
26 GAL SIA NGA GAL SIA 0.75 0.961538
27 BGC GAL SIA NGA 0.747664 0.961538
28 GAL BGC SIA NGA 0.747664 0.961538
29 SIA GAL BGC NGA 0.747664 0.961538
30 SIA GAL NGS 0.735849 0.78125
31 BGC GAL SIA NGA GAL SIA 0.725 0.819672
32 SIA GAL 0.717391 1
33 SIA GAL NAG SIA 0.694444 0.943396
34 SIA GLA NAG FUC 0.690909 0.961538
35 SIA GAL NDG FUC 0.690909 0.961538
36 NDG FUC SIA GAL 0.690909 0.961538
37 SIA GAL NAG FUC 0.690909 0.961538
38 FUC NDG GAL SIA 0.690909 0.961538
39 NAG FUC SIA GAL 0.690909 0.961538
40 4U2 0.686275 0.942308
41 SIA GAL NDG SIA 0.678899 0.909091
42 GAL SIA NGA GAL 0.669725 0.961538
43 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
44 SIA GAL SIA GLC NGA 0.661157 0.943396
45 SIA GAL SIA BGC NGA 0.661157 0.943396
46 SIA GAL MAG FUC 0.660714 0.924528
47 SIA GAL NAG GAL GLC 0.65812 0.943396
48 BGC GAL NAG SIA GAL 0.65812 0.943396
49 SIA GAL NAG GAL BGC 0.65812 0.943396
50 SIA 2FG 0.642857 0.925926
51 SIA GAL NGA 0.635514 0.961538
52 4U0 0.635514 0.960784
53 SIA GLA NGS FUC 0.633333 0.78125
54 SIA SIA GAL 0.622642 0.943396
55 5N6 GAL 0.617647 0.961538
56 NGC MBG 0.613861 0.942308
57 SIA 2FG NAG 0.609091 0.892857
58 NGC GAL NGA POL AZI 0.6 0.78125
59 SIA GAL BGC 16C 0.598485 0.806452
60 NAG GAL SIA 0.585586 0.943396
61 Z3Q GAL 5N6 0.583333 0.806452
62 BGC 18C GAL SIA 0.577778 0.806452
63 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.833333
64 SIA NAG GAL 0.552632 0.909091
65 GAL NAG SIA GAL 0.55 0.943396
66 SIA GAL NAG GAL 0.55 0.943396
67 SIA NAG GAL GAL 0.542373 0.943396
68 GAL SIA 0.539216 0.980392
69 4U1 0.530435 0.924528
70 GAL TNR SIA 0.516667 0.925926
71 SIA CMO 0.505376 0.867925
72 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
73 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
74 NAG GAL BGC 0.466019 0.9
75 GLC GAL NAG GAL 0.462264 0.9
76 LAT NAG GAL 0.457143 0.9
77 GAL NAG GAL BGC 0.457143 0.9
78 BGC GAL NAG GAL 0.457143 0.9
79 MNA 0.447917 0.849057
80 NGA GLA GAL BGC 0.444444 0.9
81 SLB SIA 0.440367 0.924528
82 GAL NGA GLA BGC GAL 0.440367 0.9
83 SIA SIA 0.440367 0.924528
84 SIA NAG 0.4375 0.875
85 SLB SIA SIA 0.436364 0.924528
86 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
87 SIA SIA SIA SLB 0.436364 0.924528
88 SLB SIA SIA SIA SIA 0.436364 0.924528
89 SIA SIA SIA 0.429825 0.924528
90 NGA GAL BGC 0.413462 0.9
91 SIA WIA 0.412281 0.892857
92 FUC GAL NAG GAL BGC 0.40678 0.882353
93 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
94 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
95 MUS 0.403361 0.793103
96 GLA GAL BGC 0.402062 0.66
97 SLB 0.402062 0.86
98 SIA 0.402062 0.86
99 GLA GAL GAL 0.402062 0.66
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ONT; Ligand: SIA GAL BGC; Similar sites found: 87
This union binding pocket(no: 1) in the query (biounit: 4ont.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UW5 MAA CHG PRO 0DQ 0.009449 0.40868 2.58621
2 2VG1 FPP 0.01122 0.42059 3.07018
3 1NB9 ADP 0.02179 0.4261 3.40136
4 1NB9 RBF 0.02179 0.4261 3.40136
5 2FT0 ACO 0.01181 0.41355 3.40426
6 4I4B 1CV 0.03841 0.40621 3.47003
7 1OBD AMP 0.0003761 0.41218 3.59477
8 1BOB ACO 0.01894 0.41161 3.78549
9 2RKV COA 0.01593 0.43196 3.87597
10 2RKV ZBA 0.01812 0.43196 3.87597
11 3QFS NAP 0.03663 0.41419 3.87597
12 3QFS FAD 0.03663 0.41419 3.87597
13 3FJO FAD 0.01906 0.40475 3.87597
14 1CJW COT 0.03646 0.40458 3.87597
15 3JQQ FAD 0.04424 0.41002 4.43038
16 3JQQ A2P 0.03793 0.40972 4.43038
17 5HGZ ACO 0.02447 0.41007 4.65116
18 5CUO COA 0.0243 0.40818 4.9505
19 4ZEI LAO 0.04238 0.40759 5.04732
20 3KRB NAP 0.04356 0.40144 5.42636
21 2CNT COA 0.007729 0.43596 5.625
22 4RHS SIA SIA GAL 0.001346 0.46964 5.7377
23 1EJB INJ 0.01086 0.42134 5.95238
24 5SWB NAG BMA MAN MAN MAN MAN 0.01624 0.42317 5.99369
25 4BQH 9VU 0.002246 0.45725 6.20155
26 4YRY NAD 0.02464 0.42769 6.20155
27 2XMY CDK 0.04553 0.4268 6.20155
28 5GXU FAD 0.02176 0.41574 6.20155
29 4GXQ ATP 0.02303 0.41263 6.20155
30 2E1T MLC 0.02639 0.40903 6.20155
31 1KQB BEZ 0.03081 0.40334 6.20155
32 1KQB FMN 0.02904 0.40334 6.20155
33 1KRH FAD 0.02793 0.40242 6.20155
34 3HF3 FMN 0.03039 0.40343 6.87679
35 1MI3 NAD 0.01792 0.42193 6.97674
36 4KOT CE3 0.03805 0.41091 6.97674
37 1YNQ NDP 0.04484 0.40088 6.97674
38 4KVX ACO 0.01024 0.43466 7.69231
39 2RCU BUJ 0.01546 0.44466 7.75194
40 5GK9 ACO 0.01579 0.42379 7.75194
41 3NRR UMP 0.03337 0.4098 7.75194
42 5H5J FAD 0.02128 0.40409 7.75194
43 3ZJ0 ACO 0.02258 0.41267 7.76699
44 2RDG NDG FUC SIA GAL 0.004904 0.42196 8.16327
45 3HCN CHD 0.02594 0.43143 8.52713
46 1QFY FAD 0.006358 0.45344 9.30233
47 1QFY NAP 0.006358 0.45344 9.30233
48 1QKQ MAN 0.005508 0.43965 9.30233
49 5FA6 NAP 0.03788 0.43267 9.30233
50 5FA6 FAD 0.03717 0.43267 9.30233
51 5FA6 FMN 0.03646 0.43267 9.30233
52 1SM4 FAD 0.009894 0.41956 9.30233
53 2Q4V ACO 0.02146 0.41419 9.30233
54 1FND FAD 0.03172 0.41356 9.30233
55 1FND A2P 0.03172 0.41356 9.30233
56 5MBC FMN 0.01397 0.41147 9.30233
57 2YNC YNC 0.04094 0.40484 9.30233
58 1A8P FAD 0.02588 0.40139 9.30233
59 4NWK 2R8 0.009603 0.42999 9.58904
60 2JEV NHQ 0.02268 0.44244 9.77011
61 4U31 MVP 0.04546 0.40079 9.77918
62 1QSM ACO 0.03278 0.40514 9.86842
63 2XNJ FAD 0.03324 0.40161 10.1504
64 3SUD SUE 0.01826 0.41295 10.3448
65 2JLD AG1 0.02418 0.41929 10.8527
66 3WCZ NAP 0.006346 0.44985 12.3377
67 3P8N L4T 0.03006 0.4016 12.3656
68 2ZPA ACO 0.009573 0.43141 12.4031
69 5E9W SAH 0.01496 0.40607 12.4031
70 2WSA 646 0.04917 0.42733 12.9338
71 2WSA MYA 0.04917 0.42733 12.9338
72 4A3U FMN 0.01822 0.41341 13.1783
73 1I1D 16G 0.02045 0.42144 13.9535
74 1QD1 FON 0.0214 0.41785 13.9535
75 4HMT FMN 0.023 0.40923 13.9535
76 4HMT NNV 0.02431 0.40923 13.9535
77 3KEE 30B 0.0343 0.40172 13.9535
78 5APJ 76E 0.01425 0.428 14.7287
79 5APK 76E 0.01425 0.42736 14.7287
80 4ZOM 4Q3 0.01171 0.42734 14.7287
81 5X8Q 82R 0.012 0.41923 14.7287
82 5NTW 98N 0.03538 0.4029 14.7287
83 2HJR APR 0.03072 0.40158 14.7287
84 3TO7 COA 0.006248 0.44286 16.2791
85 1GAW FAD 0.01212 0.41249 18.6047
86 3MHP FAD 0.01925 0.40745 23.0769
87 3F8K COA 0.009059 0.42894 23.75
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