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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(N...
SIA BGC GAL F:1301;
Valid;
none;
submit data n/a n/a n/a n/a
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 1443 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 1205 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 1039 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: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA GAL 1 1
2 GLA GLC SIA 1 1
3 SIA GAL BGC 1 1
4 SIA GAL GLC 1 1
5 BGC GAL SIA 1 1
6 GAL BGC SIA 1 1
7 SIA SIA GLA BGC 0.861386 0.943396
8 BGC SIA SIA GAL 0.861386 0.943396
9 MN0 GAL GLC 0.852632 0.960784
10 BGC GAL SIA NGA GAL SIA 0.836538 0.961538
11 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
12 NAG SIA GAL 0.831579 0.961538
13 SLT 0.829787 0.98
14 SIA SIA GAL NGA GAL 0.781818 0.943396
15 SIA GAL A2G 0.765306 0.961538
16 NGA GAL SIA 0.765306 0.961538
17 GAL NGA GAL BGC SIA 0.761468 0.961538
18 SIA GAL BGC NGA GAL 0.761468 0.961538
19 GAL NGA SIA GAL BGC 0.761468 0.961538
20 BGC GAL SIA NGA GAL 0.761468 0.961538
21 NAG GAL NGC 0.757282 0.961538
22 SIA GAL NAG 0.752475 0.909091
23 GAL SIA NGA GAL SIA 0.75 0.961538
24 GAL BGC SIA NGA 0.747664 0.961538
25 BGC GAL SIA NGA 0.747664 0.961538
26 SIA GAL BGC NGA 0.747664 0.961538
27 SIA GAL NGS 0.719626 0.757576
28 GAL SIA 0.717391 1
29 SIA GAL NAG GAL 0.698113 0.943396
30 SIA GAL NAG SIA 0.694444 0.943396
31 SIA GAL NDG FUC 0.690909 0.961538
32 FUC NDG GAL SIA 0.690909 0.961538
33 NDG FUC SIA GAL 0.690909 0.961538
34 NAG FUC SIA GAL 0.690909 0.961538
35 SIA GLA NAG FUC 0.690909 0.961538
36 SIA GAL NAG FUC 0.690909 0.961538
37 4U2 0.686275 0.942308
38 SIA GAL NDG SIA 0.678899 0.909091
39 GAL SIA NGA GAL 0.669725 0.961538
40 SIA GAL NGA GAL 0.669725 0.961538
41 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
42 SIA GAL SIA GLC NGA 0.661157 0.943396
43 SIA GAL SIA BGC NGA 0.661157 0.943396
44 SIA GAL MAG FUC 0.660714 0.924528
45 SIA GAL NAG GAL GLC 0.65812 0.943396
46 SIA GAL NAG GAL BGC 0.65812 0.943396
47 BGC GAL NAG SIA GAL 0.65812 0.943396
48 SIA 2FG 0.642857 0.925926
49 SIA GAL NGA 0.635514 0.961538
50 4U0 0.635514 0.960784
51 SIA SIA GAL 0.622642 0.943396
52 SIA GLA NGS FUC 0.619835 0.757576
53 SIA GAL 0.616162 0.960784
54 NGC MBG 0.613861 0.942308
55 GAL NGA GAL SIA 0.610619 0.943396
56 SIA 2FG NAG 0.609091 0.892857
57 NGC GAL NGA POL AZI 0.6 0.78125
58 SIA GAL BGC 16C 0.598485 0.806452
59 NAG GAL SIA 0.585586 0.943396
60 BGC 18C GAL SIA 0.577778 0.806452
61 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.806452
62 SIA NAG GAL 0.552632 0.909091
63 GAL NAG SIA GAL 0.55 0.943396
64 SIA NAG GAL GAL 0.542373 0.943396
65 4U1 0.530435 0.924528
66 GAL TNR SIA 0.512397 0.909091
67 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
68 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
69 NAG GAL BGC 0.466019 0.9
70 LAT NAG GAL 0.462264 0.9
71 GLC GAL NAG GAL 0.462264 0.9
72 GAL NAG GAL GLC 0.457143 0.9
73 BGC GAL NAG GAL 0.457143 0.9
74 MNA 0.447917 0.849057
75 NGA GLA GAL BGC 0.444444 0.9
76 SIA SIA 0.440367 0.924528
77 GAL NGA GLA BGC GAL 0.440367 0.9
78 SLB SIA 0.440367 0.924528
79 SIA NAG 0.4375 0.875
80 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
81 SLB SIA SIA 0.436364 0.924528
82 SIA SIA SIA 0.429825 0.924528
83 NGA GAL BGC 0.413462 0.9
84 SIA WIA 0.412281 0.892857
85 FUC GAL NAG GAL BGC 0.40678 0.882353
86 GAL GLC NAG GAL FUC 0.40678 0.882353
87 GLC NAG GAL GAL FUC 0.40678 0.882353
88 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
89 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
90 MUS 0.403361 0.793103
91 GLA GAL GAL 0.402062 0.66
92 SLB 0.402062 0.86
93 SIA 0.402062 0.86
Ligand no: 2; Ligand: SIA BGC GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
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 with APoc: 165
This union binding pocket(no: 1) in the query (biounit: 4ont.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1YRX FMN None
2 2FWP CIT 2.18579
3 3UW5 MAA CHG PRO 0DQ 2.58621
4 4QVB F42 2.72109
5 2VG1 FPP 3.07018
6 3O3R NAP 3.10078
7 2Q28 ADP 3.10078
8 1NB9 ADP 3.40136
9 1NB9 RBF 3.40136
10 2FT0 ACO 3.40426
11 4I4B 1CV 3.47003
12 1OBD AMP 3.59477
13 1BOB ACO 3.78549
14 2RKV ZBA 3.87597
15 2RKV COA 3.87597
16 1HYH NAD 3.87597
17 3QFS FAD 3.87597
18 3FJO FAD 3.87597
19 1CJW COT 3.87597
20 2IYG FMN 4.03226
21 5FVJ ACO 4.21687
22 3JQQ FAD 4.43038
23 3JQQ A2P 4.43038
24 6G96 ACO 4.65116
25 3QKT ANP 4.65116
26 2H8Z 8CM 4.65116
27 2H8Z FMN 4.65116
28 5HGZ ACO 4.65116
29 6CEP NAD 4.73186
30 6CEP OXM 4.73186
31 5CUO COA 4.9505
32 4ZEI LAO 5.04732
33 3EM0 CHD 5.07246
34 1PZM 5GP 5.21327
35 5WHT SIA 5.42636
36 5WHT SIA GAL GLC 5.42636
37 5WHT SIA GAL 5.42636
38 2A92 NAI 5.42636
39 3KRB NAP 5.42636
40 3UEC ALA ARG TPO LYS 5.47945
41 2CNT COA 5.625
42 4RHS SIA SIA GAL 5.7377
43 1EJB INJ 5.95238
44 5SWB NAG BMA MAN MAN MAN MAN 5.99369
45 2P3B 3TL 6.06061
46 6C8X BVR 6.06061
47 2P3C 3TL 6.06061
48 4BQH 9VU 6.20155
49 5YGE ACO 6.20155
50 4YRY NAD 6.20155
51 2XMY CDK 6.20155
52 5VKM GAL SIA 6.20155
53 5GXU FAD 6.20155
54 4GXQ ATP 6.20155
55 1X54 4AD 6.20155
56 2E1T MLC 6.20155
57 4YRY FAD 6.20155
58 1KQB FMN 6.20155
59 1KQB BEZ 6.20155
60 1KRH FAD 6.20155
61 1T9M FMN 6.20155
62 4ZVV NAD 6.30915
63 4ZVV GN0 6.30915
64 2XGT NSS 6.30915
65 4PO2 ASN ARG LEU LEU LEU THR GLY 6.80851
66 3HF3 FMN 6.87679
67 2QE0 NAP 6.94006
68 5KF9 ACO 6.97674
69 2BSA NAP 6.97674
70 2BSA FAD 6.97674
71 5KF9 NAG 6.97674
72 5KF9 COA 6.97674
73 1MI3 NAD 6.97674
74 4KOT CE3 6.97674
75 4DQL FAD 6.97674
76 1YNQ NDP 6.97674
77 2XCF BBQ 6.97674
78 5Z6T NAP 6.97674
79 1RVV INI 7.14286
80 2QFY AKG 7.25552
81 9LDT NAD 7.57098
82 4KVX ACO 7.69231
83 2RCU BUJ 7.75194
84 5VW2 NAP 7.75194
85 5VW2 FDA 7.75194
86 5GK9 ACO 7.75194
87 4KQ6 DLZ 7.75194
88 5LIA 6XN 7.75194
89 3NRR UMP 7.75194
90 3NRR D16 7.75194
91 1E5Q NDP 7.75194
92 5H5J FAD 7.75194
93 3ZJ0 ACO 7.76699
94 1F2U ATP 8.05369
95 2RDG NDG FUC SIA GAL 8.16327
96 2CJF RP4 8.28025
97 1JA9 PYQ 8.39416
98 3HCN CHD 8.52713
99 4G31 0WH 8.52713
100 1QFY FAD 9.30233
101 1QFY NAP 9.30233
102 5FA6 FAD 9.30233
103 5FA6 FMN 9.30233
104 5FA6 NAP 9.30233
105 1SM4 FAD 9.30233
106 2Q4V ACO 9.30233
107 1FND A2P 9.30233
108 1FND FAD 9.30233
109 1V0C ACO 9.30233
110 5MBC FMN 9.30233
111 1QKQ MAN 9.30233
112 4B0T ADP 9.30233
113 2YNC YNC 9.30233
114 3VO1 FAD 9.30233
115 1A8P FAD 9.30233
116 3T64 DU3 9.39227
117 6BQK Z1E 9.58904
118 2JEV NHQ 9.77011
119 4U31 MVP 9.77918
120 1QSM ACO 9.86842
121 4ONC 40B 10.0775
122 4F07 FAD 10.0775
123 4C2C ALA ALA ALA 10.0775
124 2XNJ NAP 10.1504
125 2XNJ FAD 10.1504
126 3SUD SUE 10.3448
127 2JLD AG1 10.8527
128 5TUF FAD 10.8527
129 1TLL FAD 11.3565
130 1JYQ MAZ PTR PTM ASN 11.4583
131 1N4H REA 11.6279
132 4RF7 ARG 11.6279
133 4B5P ACO 12
134 5JCA FAD 12.3028
135 3WCZ NAP 12.3377
136 3P8N L4T 12.3656
137 2ZPA ACO 12.4031
138 5E9W SAH 12.4031
139 3I7V B4P 12.4031
140 1YBH P22 12.4031
141 2WSA 646 12.9338
142 2WSA MYA 12.9338
143 4A3U FMN 13.1783
144 1I1D 16G 13.9535
145 1QD1 FON 13.9535
146 4HMT FMN 13.9535
147 4HMT NNV 13.9535
148 3SBZ MLI 13.9535
149 3KEE 30B 13.9535
150 5APK 76E 14.7287
151 5IXK 6EW 14.7287
152 5X8Q 82R 14.7287
153 5NI5 8YB 14.7287
154 1UXG FUM 14.7287
155 1UXG NAD 14.7287
156 6ESN BWE 14.7287
157 5NTW 98N 14.7287
158 2HJR APR 14.7287
159 5E8J SAH 15.9091
160 1GAW FAD 18.6047
161 2JDC CAO 20.9302
162 1I1E DM2 21.7054
163 3MHP FAD 23.0769
164 3F8K COA 23.75
165 5OGX FAD 28.6822
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