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([...
View in 3D viewer
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 60 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 42 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 34 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: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG FUC SIA GAL 1 1
2 SIA GAL NDG FUC 1 1
3 FUC NDG GAL SIA 1 1
4 SIA GAL NAG FUC 1 1
5 NDG FUC SIA GAL 1 1
6 SIA GLA NAG FUC 1 1
7 SIA GLA NGS FUC 0.840708 0.8125
8 SIA GAL MAG FUC 0.833333 0.962264
9 SIA GAL A2G 0.745283 1
10 NGA GAL SIA 0.745283 1
11 SIA GAL NAG 0.722222 1
12 NAG SIA GAL 0.722222 1
13 SIA GAL NAG SIA 0.695652 0.981132
14 BGC SIA GAL 0.690909 0.961538
15 SIA GAL GLC 0.690909 0.961538
16 GAL BGC SIA 0.690909 0.961538
17 GLA GLC SIA 0.690909 0.961538
18 BGC GAL SIA 0.690909 0.961538
19 SIA BGC GAL 0.690909 0.961538
20 SIA GAL BGC 0.690909 0.961538
21 GAL SIA NGA GAL SIA 0.686957 1
22 NAG GAL NGC 0.663793 0.962264
23 GAL NGA GAL SIA 0.65812 1
24 SIA GAL NGA GAL 0.65812 1
25 SIA SIA GAL NGA GAL SIA 0.642857 0.981132
26 BGC SIA SIA GAL 0.639344 0.981132
27 SIA SIA GLA BGC 0.639344 0.981132
28 SIA GAL NGS 0.633333 0.8125
29 SIA GAL NDG SIA 0.625 0.945455
30 GAL BGC GAL SIA NGA SIA 0.624 1
31 BGC GAL SIA SIA GAL NGA 0.624 1
32 SIA GAL 0.619048 0.961538
33 GAL SIA NGA GAL 0.616667 1
34 SIA 2FG NAG 0.615385 0.928571
35 SIA SIA GAL NGA GAL 0.612403 0.981132
36 4U2 0.6 0.980769
37 MN0 GAL GLC 0.59322 0.924528
38 SIA 2FG 0.587156 0.892857
39 SIA GAL BGC NGA GAL 0.581395 1
40 GAL NGA GAL BGC SIA 0.581395 1
41 BGC GAL SIA NGA GAL 0.581395 1
42 GAL NGA SIA GAL BGC 0.581395 1
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 BGC GAL SIA NGA GAL SIA 0.553191 0.852459
48 NGC MBG 0.548673 0.907407
49 BGC GAL CEQ SLB NGA GAL SIA SIA 0.544218 0.866667
50 SIA GAL BGC NGA 0.542636 1
51 BGC GAL SIA NGA 0.542636 1
52 GAL BGC SIA NGA 0.542636 1
53 NAG GAL SIA 0.540984 0.981132
54 5N6 GAL 0.53913 0.962264
55 GAL NDG FUC 0.538462 0.884615
56 FUC NAG GAL 0.538462 0.884615
57 FUC NDG GAL 0.538462 0.884615
58 GAL NAG FUC 0.538462 0.884615
59 Z3Q GAL 5N6 0.530303 0.83871
60 SIA GAL BGC 16C 0.527397 0.83871
61 BGC 18C GAL SIA 0.52027 0.83871
62 SIA NAG GAL 0.512 0.945455
63 SIA GAL SIA BGC NGA 0.510638 0.981132
64 SIA GAL SIA GLC NGA 0.510638 0.981132
65 BGC GAL NAG SIA GAL 0.50365 0.981132
66 SIA GAL NAG GAL BGC 0.50365 0.981132
67 SIA GAL NAG GAL GLC 0.50365 0.981132
68 SIA NAG GAL GAL 0.492308 0.981132
69 4U1 0.492063 0.962264
70 FUC NAG GAL FUC 0.490909 0.903846
71 GAL NDG FUC FUC 0.490909 0.903846
72 FUC NDG GAL FUC 0.490909 0.903846
73 GAL NAG FUC FUC 0.490909 0.903846
74 BCW 0.490909 0.903846
75 FUC GAL NDG FUC 0.490909 0.903846
76 FUC GAL NAG FUC 0.490909 0.903846
77 BDZ 0.490909 0.903846
78 GAL NAG SIA GAL 0.488722 0.981132
79 SIA GAL NAG GAL 0.488722 0.981132
80 GAL TNR SIA 0.480916 0.962963
81 4U0 0.472441 0.924528
82 GAL SIA 0.469565 0.943396
83 FUC GAL NAG A2G FUC 0.46281 0.942308
84 NAG GAL FUC FUC A2G 0.46281 0.942308
85 SIA GAL SIA BGC NGA CEQ 0.458065 0.8
86 BGC 18C GAL NGA SIA GAL 0.449102 0.83871
87 SIA CMO 0.447619 0.87037
88 SGA MAG FUC 0.436975 0.738462
89 GLA NAG GAL FUC 0.432203 0.884615
90 GAL NAG GAL FUC 0.432203 0.884615
91 FUC NAG GLA GAL 0.429752 0.903846
92 FUC NAG 0.424528 0.865385
93 SIA SIA 0.420168 0.962264
94 SLB SIA 0.420168 0.962264
95 FUC BGC GAL NAG 0.418033 0.884615
96 SLB SIA SIA 0.416667 0.962264
97 SIA SIA SIA SLB 0.416667 0.962264
98 SIA SIA SIA SIA SIA SIA SIA 0.416667 0.962264
99 SLB SIA SIA SIA SIA 0.416667 0.962264
100 MAG FUC GAL 0.415929 0.886792
101 SIA SIA SIA 0.41129 0.962264
102 FUC BGC GAL NAG GAL 0.409449 0.884615
103 SIA NAG 0.406504 0.910714
104 BGC GAL NAG GAL FUC FUC 0.4 0.903846
105 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: 31
This union binding pocket(no: 1) in the query (biounit: 5u75.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ED4 FAD 0.02588 0.41036 None
2 3K87 FAD 0.03497 0.40899 None
3 3EYA TDP 0.02602 0.40416 1.78571
4 5MF5 C2E 0.01799 0.41657 2.97619
5 1DL5 SAH 0.01777 0.4025 2.97619
6 5FA8 SAM 0.003973 0.45539 3.10559
7 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.003612 0.42883 3.125
8 3HVJ 705 0.04769 0.41364 3.57143
9 1WPQ NAD 0.01675 0.42681 4.16667
10 3NTD COA 0.02095 0.41853 4.16667
11 4WQM FAD 0.01246 0.42817 4.7619
12 5YAS FAC 0.03556 0.41248 4.7619
13 4B0H DUR 0.04883 0.42482 4.86111
14 4LJ3 C2E 0.01066 0.42215 5.35714
15 1LOX RS7 0.01281 0.41862 5.35714
16 4DV8 0LX 0.03839 0.40438 5.35714
17 1W0H AMP 0.02096 0.4024 5.35714
18 3ICS COA 0.02361 0.4142 5.78231
19 4COL DTP 0.01416 0.40803 5.95238
20 5K8B PDG 0.0162 0.41344 7.14286
21 4G28 0W8 0.02057 0.41543 7.84314
22 5H86 BCO 0.003235 0.4475 8.33333
23 2XXP DSL 0.04018 0.43016 8.92857
24 3AHW 2AM 0.01505 0.4083 10.5263
25 3Q9T FAY 0.04066 0.40828 10.7143
26 5EYK 5U5 0.03341 0.40518 11.8644
27 1GKZ ADP 0.01509 0.4124 12.5
28 5C4L SIS 0.02205 0.41311 13.0952
29 2Z23 LYS LYS LYS 0.01284 0.42876 14.881
30 2RDG NDG FUC SIA GAL 0.0000000007184 0.77068 22.0238
31 2WME NAP 0.01448 0.41964 22.0238
Feedback