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Receptor
PDB id Resolution Class Description Source Keywords
2Z8L 1.65 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE STAPHYLOCOCCAL SUPERANTIGEN-LIKE PR AT PH 4.6 COMPLEXED WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OB FOLD B-GRASP SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE STAPHYLOCOCCAL TOXIN SSL5 COMPLEX WITH SIALYL LEWIS X REVEAL A CONSERVED BIND THAT SHARES COMMON FEATURES WITH VIRAL AND BACTERIA ACID BINDING PROTEINS J.MOL.BIOL. V. 374 1298 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:606;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG FUC SIA GAL A:603;
Valid;
none;
submit data
819.74 n/a O=C(N...
PO4 A:605;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z8L 1.65 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE STAPHYLOCOCCAL SUPERANTIGEN-LIKE PR AT PH 4.6 COMPLEXED WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OB FOLD B-GRASP SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE STAPHYLOCOCCAL TOXIN SSL5 COMPLEX WITH SIALYL LEWIS X REVEAL A CONSERVED BIND THAT SHARES COMMON FEATURES WITH VIRAL AND BACTERIA ACID BINDING PROTEINS J.MOL.BIOL. V. 374 1298 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2Z8L - NAG FUC SIA GAL 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 2Z8L - NAG FUC SIA GAL n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 2Z8L - NAG FUC SIA GAL n/a n/a
2 4DXG Kd = 87 nM NDG FUC SIA GAL n/a n/a
3 2RDG Kd = 0.72 uM NDG FUC SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG FUC SIA GAL; 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 : 2Z8L; Ligand: NAG FUC SIA GAL; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 2z8l.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5OOH NAP None
2 5OOH 9ZZ None
3 5KIQ SIA GAL NAG FUC 1.52284
4 1MQ0 BRD 2.14286
5 5IUC SIA GAL A2G 2.3622
6 2R4V GSH 2.40385
7 5K8B PDG 2.40385
8 5VWK PRO ALA TRP ASP GLU THR ASN LEU 2.45902
9 3CW9 AMP 3.36538
10 6EJI UD2 3.84615
11 1U7Z PMT 3.84615
12 2AF6 FAD 3.84615
13 3ZJ0 ACO 3.8835
14 1OAA OAA 4.32692
15 5GXU FAD 4.32692
16 3O5N BR0 4.46429
17 1B4P GPS 4.80769
18 5DK4 ATP 4.80769
19 5DK4 5BX 4.80769
20 6C92 EQJ 4.80769
21 6C8T EQJ 4.80769
22 3ICS COA 4.80769
23 1Q0S SAH 5.28846
24 3W68 VIV 5.28846
25 2PID YSA 5.28846
26 1W0H AMP 5.39216
27 4LO6 SIA GAL 6.25
28 4AUT FAD 6.25
29 3SWG EPZ 6.25
30 1YOA FAD 6.28931
31 3TAY MN0 6.74847
32 2P3I MNA 6.8323
33 2Q46 NAP 7.21154
34 4FWE FAD 7.21154
35 4DS0 A2G GAL NAG FUC 7.36196
36 6EAC ANP 7.9918
37 1FQK GDP 8.84354
38 6AOV SIA GAL NAG GAL NAG 10.3448
39 5IE3 OXD 10.5769
40 5IE3 AMP 10.5769
41 5OVC ACE GLU ALA GLN THR ARG LEU 10.5769
42 4BXK 1IU 11.5385
43 4COL DTP 12.0192
44 6C3C EJ1 12.9808
45 1L6O SER LEU LYS LEU MET THR THR VAL 14.7368
46 5HI5 63Q 16.8776
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