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([...
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 60 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 42 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 34 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: 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 : 2Z8L; Ligand: NAG FUC SIA GAL; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 2z8l.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KIQ SIA GAL NAG FUC 0.01095 0.41054 1.52284
2 5IUC SIA GAL A2G 0.003493 0.43466 2.3622
3 5K8B PDG 0.008544 0.4283 2.40385
4 1U7Z PMT 0.04777 0.40538 3.84615
5 2AF6 FAD 0.02741 0.40305 3.84615
6 3ZJ0 ACO 0.02991 0.40791 3.8835
7 1OAA OAA 0.04305 0.4127 4.32692
8 5GXU FAD 0.02916 0.41261 4.32692
9 4WYU SER TRP PHE GLN THR ASP LEU 0.02402 0.40667 4.80769
10 1Q0S SAH 0.03073 0.40887 5.28846
11 3W68 VIV 0.02325 0.40568 5.28846
12 2PID YSA 0.04021 0.40009 5.28846
13 1W0H AMP 0.004736 0.4345 5.39216
14 4LO6 SIA GAL 0.0002309 0.41732 6.25
15 4AUT FAD 0.0392 0.4041 6.25
16 3SWG EPZ 0.03563 0.40131 6.25
17 3TAY MN0 0.02176 0.42352 6.74847
18 2Q46 NAP 0.01285 0.42927 7.21154
19 4FWE FAD 0.03255 0.41771 7.21154
20 4DS0 A2G GAL NAG FUC 0.01855 0.40546 7.36196
21 1CBF SAH 0.03604 0.41652 9.61539
22 5IE3 OXD 0.02709 0.41312 10.5769
23 5IE3 AMP 0.02709 0.41312 10.5769
24 4COL DTP 0.01415 0.4172 12.0192
25 1L6O SER LEU LYS LEU MET THR THR VAL 0.02835 0.40302 14.7368
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