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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 1443 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 391 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 1039 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: 47
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 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
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 SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 EQP 0.470588 0.788462
21 AXP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SID 0.459459 0.82
24 SIA SIA SIA 0.453488 0.826923
25 MUS 0.449438 0.796296
26 NXD 0.447368 0.792453
27 SIA WIA 0.447059 0.767857
28 SIA 2FG 0.447059 0.796296
29 SLT 0.44086 0.877551
30 KDO 0.435484 0.704545
31 SIA GAL 0.435294 0.86
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 SIA GAL GLC 0.402062 0.86
41 BGC SIA GAL 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 BGC GAL SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 GLA GLC SIA 0.402062 0.86
46 4AM 0.4 0.833333
47 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 with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 2jhk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1T32 OHH 2.75229
2 4WKI 3PW 2.75229
3 4ZFL 4NK 2.75229
4 4ZRB COA 2.91971
5 1WVG APR 3.21101
6 4R4U COA 4.58716
7 2ORV 4TA 4.58716
8 1P0F NAP 5.04587
9 1W4R TTP 5.12821
10 1A8P FAD 5.50459
11 2RFI SAH 7.79817
12 3SWC SAH 7.79817
13 5A04 BGC 8.25688
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