Receptor
PDB id Resolution Class Description Source Keywords
2JHL 1.75 Å NON-ENZYME: OTHER STRUCTURE OF GLOBULAR HEADS OF M-FICOLIN COMPLEXED WITH SIALIC ACID HOMO SAPIENS LECTIN COLLAGEN ACIDIC PH COMPLEMENT GLYCOPROTEIN POLYMORPHISM INNATE IMMUNITY SUGAR-BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR INNATE IMMUNE SENSING BY M-FIC ITS CONTROL BY A PH-DEPENDENT CONFORMATIONAL SWITCH J.BIOL.CHEM. V. 282 35814 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA F:1298;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SLB F:1299;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JHK 1.75 Å NON-ENZYME: OTHER STRUCTURE OF GLOBULAR HEADS OF M-FICOLIN COMPLEXED WITH N- ACETYL-D-GLUCOSAMINE HOMO SAPIENS LECTIN COLLAGEN ACIDIC PH COMPLEMENT SUGAR-BINDING PROTEIN GLYCOPROTEIN POLYMORPHISM INNATE IMMUNITY
Ref.: STRUCTURAL BASIS FOR INNATE IMMUNE SENSING BY M-FICOLIN AND ITS CONTROL BY A PH-DEPENDENT CONFORMATIONAL SWITCH. J.BIOL.CHEM. V. 282 35814 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
2 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
3 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
6 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
7 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
8 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
2 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
3 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
4 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
5 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
6 2J3U - GLA C6 H12 O6 C([C@@H]1[....
7 2J60 - ABE C6 H12 O4 C[C@@H]1[C....
8 2J5Z - GAL C6 H12 O6 C([C@@H]1[....
9 1JC9 - NAG C8 H15 N O6 CC(=O)N[C@....
10 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
11 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
12 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SLB; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 DAN 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JHK; Ligand: NAG; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 2jhk.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZRB COA 0.005106 0.4004 2.91971
2 1WVG APR 0.005126 0.43938 3.21101
3 1A8P FAD 0.01623 0.40275 5.50459
4 2RFI SAH 0.02489 0.40818 7.79817
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