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Receptor
PDB id Resolution Class Description Source Keywords
5U75 1.66 Å NON-ENZYME: TOXIN_VIRAL THE STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN-LIKE X (SELX), A SUPERANTIGEN STAPHYLOCOCCUS AUREUS STAPHYLOCOCCAL SUPERANTIGEN SIALYL LEWIS X IMMUNE EVASION TOXIN
Ref.: STAPHYLOCOCCAL ENTEROTOXIN-LIKE X (SELX) IS A UNIQU SUPERANTIGEN WITH FUNCTIONAL FEATURES OF TWO MAJOR OF STAPHYLOCOCCAL VIRULENCE FACTORS. PLOS PATHOG. V. 13 06549 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA GAL NDG FUC A:201;
Valid;
none;
submit data
819.74 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U75 1.66 Å NON-ENZYME: TOXIN_VIRAL THE STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN-LIKE X (SELX), A SUPERANTIGEN STAPHYLOCOCCUS AUREUS STAPHYLOCOCCAL SUPERANTIGEN SIALYL LEWIS X IMMUNE EVASION TOXIN
Ref.: STAPHYLOCOCCAL ENTEROTOXIN-LIKE X (SELX) IS A UNIQU SUPERANTIGEN WITH FUNCTIONAL FEATURES OF TWO MAJOR OF STAPHYLOCOCCAL VIRULENCE FACTORS. PLOS PATHOG. V. 13 06549 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 5U75 - SIA GAL NDG FUC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 5U75 - SIA GAL NDG FUC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5U75 - SIA GAL NDG FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL NDG FUC; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GLA NAG FUC 1 1
2 NDG FUC SIA GAL 1 1
3 FUC NDG GAL SIA 1 1
4 SIA GAL NAG FUC 1 1
5 NAG FUC SIA GAL 1 1
6 SIA GAL NDG FUC 1 1
7 SIA GLA NGS FUC 0.840708 0.787879
8 SIA GAL MAG FUC 0.833333 0.962264
9 SIA GAL A2G 0.745283 1
10 NGA GAL SIA 0.745283 1
11 NAG SIA GAL 0.722222 1
12 SIA GAL NAG SIA 0.695652 0.981132
13 GLA GLC SIA 0.690909 0.961538
14 SIA GAL GLC 0.690909 0.961538
15 GAL BGC SIA 0.690909 0.961538
16 SIA GAL BGC 0.690909 0.961538
17 BGC SIA GAL 0.690909 0.961538
18 BGC GAL SIA 0.690909 0.961538
19 GAL SIA NGA GAL SIA 0.686957 1
20 NAG GAL NGC 0.663793 0.962264
21 SIA GAL NAG 0.643478 0.945455
22 SIA SIA GAL NGA GAL SIA 0.642857 0.981132
23 SIA GAL NAG GAL 0.641026 0.981132
24 BGC SIA SIA GAL 0.639344 0.981132
25 SIA SIA GLA BGC 0.639344 0.981132
26 SIA GAL NGS 0.633333 0.787879
27 SIA GAL NDG SIA 0.625 0.945455
28 BGC GAL SIA NGA GAL SIA 0.624 1
29 BGC GAL SIA SIA GAL NGA 0.624 1
30 GAL SIA 0.619048 0.961538
31 SIA GAL NGA GAL 0.616667 1
32 GAL SIA NGA GAL 0.616667 1
33 SIA 2FG NAG 0.615385 0.928571
34 SIA SIA GAL NGA GAL 0.612403 0.981132
35 4U2 0.6 0.980769
36 MN0 GAL GLC 0.59322 0.924528
37 SIA 2FG 0.587156 0.892857
38 GAL NGA GAL BGC SIA 0.581395 1
39 GAL NGA SIA GAL BGC 0.581395 1
40 BGC GAL SIA NGA GAL 0.581395 1
41 SIA GAL BGC NGA GAL 0.581395 1
42 GAL NGA GAL SIA 0.577236 0.981132
43 SLT 0.57265 0.942308
44 SIA SIA GAL 0.57265 0.981132
45 SIA GAL NGA 0.571429 1
46 NGC GAL NGA POL AZI 0.557252 0.784615
47 SIA GAL 0.54955 0.924528
48 NGC MBG 0.548673 0.907407
49 GAL BGC SIA NGA 0.542636 1
50 BGC GAL SIA NGA 0.542636 1
51 SIA GAL BGC NGA 0.542636 1
52 NAG GAL SIA 0.540984 0.981132
53 GAL NDG FUC 0.538462 0.884615
54 FUC NDG GAL 0.538462 0.884615
55 BGC GAL CEQ SLB NGA GAL SIA SIA 0.533784 0.83871
56 SIA GAL BGC 16C 0.527397 0.83871
57 BGC 18C GAL SIA 0.52027 0.83871
58 SIA NAG GAL 0.512 0.945455
59 SIA GAL SIA BGC NGA 0.510638 0.981132
60 SIA GAL SIA GLC NGA 0.510638 0.981132
61 BGC GAL NAG SIA GAL 0.50365 0.981132
62 SIA GAL NAG GAL BGC 0.50365 0.981132
63 SIA GAL NAG GAL GLC 0.50365 0.981132
64 SIA NAG GAL GAL 0.492308 0.981132
65 4U1 0.492063 0.962264
66 FUC GAL NAG FUC 0.490909 0.903846
67 BCW 0.490909 0.903846
68 FUC NAG GAL FUC 0.490909 0.903846
69 FUC GAL NDG FUC 0.490909 0.903846
70 BDZ 0.490909 0.903846
71 GAL NDG FUC FUC 0.490909 0.903846
72 GAL NAG FUC FUC 0.490909 0.903846
73 FUC NDG GAL FUC 0.490909 0.903846
74 GAL NAG SIA GAL 0.488722 0.981132
75 GAL TNR SIA 0.477273 0.945455
76 4U0 0.472441 0.924528
77 FUC GAL NAG A2G FUC 0.46281 0.942308
78 NAG GAL FUC FUC A2G 0.46281 0.942308
79 SIA GAL SIA BGC NGA CEQ 0.458065 0.8
80 BGC 18C GAL NGA SIA GAL 0.449102 0.83871
81 SGA MAG FUC 0.445378 0.731343
82 GAL NAG GAL FUC 0.432203 0.884615
83 GLA NAG GAL FUC 0.432203 0.884615
84 FUC NAG GLA GAL 0.429752 0.903846
85 SIA SIA 0.420168 0.962264
86 SLB SIA 0.420168 0.962264
87 FUC BGC GAL NAG 0.418033 0.884615
88 SIA SIA SIA SIA SIA SIA SIA 0.416667 0.962264
89 SLB SIA SIA 0.416667 0.962264
90 MAG FUC GAL 0.415929 0.886792
91 SIA SIA SIA 0.41129 0.962264
92 FUC BGC GAL NAG GAL 0.409449 0.884615
93 SIA NAG 0.406504 0.910714
94 BGC GAL NAG GAL FUC FUC 0.4 0.903846
95 GLC GAL NAG GAL FUC FUC 0.4 0.903846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U75; Ligand: SIA GAL NDG FUC; Similar sites found with APoc: 77
This union binding pocket(no: 1) in the query (biounit: 5u75.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3K87 FAD None
2 2ED4 FAD None
3 3OKI OKI 1.19048
4 4HVA 4HV 1.78571
5 3EYA TDP 1.78571
6 5GLN XYS 1.78571
7 6CAY ERG 2.38095
8 3KRU FMN 2.38095
9 5MKG C2E 2.97619
10 5MF5 C2E 2.97619
11 1DL5 SAH 2.97619
12 6BMM OLB 2.97619
13 5FA8 SAM 3.10559
14 4EOY ASN ASP TRP LEU LEU PRO SER TYR 3.125
15 3HVJ 705 3.57143
16 3SHR CMP 3.57143
17 6AOV SIA GAL NAG GAL NAG 3.57143
18 3I53 SAH 3.57143
19 3GFZ C2E 3.57143
20 1WPQ NAD 4.16667
21 3NTD COA 4.16667
22 1PI5 SM2 4.16667
23 3CW9 AMP 4.16667
24 2X2M X2M 4.16667
25 6EAC ANP 4.7619
26 4WQM FAD 4.7619
27 2JKY 5GP 4.7619
28 3ZQ6 ADP ALF 4.7619
29 4LJ3 C2E 5.35714
30 1LOX RS7 5.35714
31 3N3T C2E 5.35714
32 4DV8 0LX 5.35714
33 1W0H AMP 5.35714
34 6C7R EO4 5.6
35 3ICS COA 5.78231
36 6EJI UD2 5.95238
37 1G51 AMO 5.95238
38 4WNP 3RJ 5.95238
39 6H3O FAD 5.95238
40 4COL DTP 5.95238
41 4Z3X 4KX 5.95238
42 4Z3X MTE 5.95238
43 2R5N RP5 6.54762
44 2R5N TPP 6.54762
45 2R5N R5P 6.54762
46 5HSA FAS 6.54762
47 3ZKK XYP XYP XYP XYP 6.54762
48 5M1T C2E 6.54762
49 3RJ5 NAD 6.54762
50 1OTH PAO 6.54762
51 2Q46 NAP 6.54762
52 5K8B PDG 7.14286
53 5H86 BCO 8.33333
54 3QT6 2P0 8.33333
55 1DUV PSQ 8.33333
56 5OLK DTP 8.33333
57 5GWE GWM 8.92857
58 5TZO 7V7 10.119
59 3AHW 2AM 10.5263
60 3Q9T FAY 10.7143
61 5EYK 5U5 11.8644
62 1GKZ ADP 12.5
63 5IM3 DTP 12.5
64 5C4L SIS 13.0952
65 6C8T EQJ 13.0952
66 3VKX T3 13.6905
67 1KQ4 FAD 13.6905
68 6DQU GLY ILE ILE ASN THR LEU 14.2857
69 2YIC TPP 14.2857
70 4X7R UDP 14.2857
71 2Z23 LYS LYS LYS 14.881
72 5N5U AMP 16.0714
73 2RDG NDG FUC SIA GAL 22.0238
74 2WME NAP 22.0238
75 6CD1 PLS 23.2143
76 5TH5 7C5 24.4048
77 2IDO TMP 27.7108
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