Receptor
PDB id Resolution Class Description Source Keywords
2JHL 1.75 Å NON-ENZYME: OTHER STRUCTURE OF GLOBULAR HEADS OF M-FICOLIN COMPLEXED WITH SIAL HOMO SAPIENS LECTIN COLLAGEN ACIDIC PH COMPLEMENT GLYCOPROTEIN POLYMINNATE IMMUNITY SUGAR-BINDING PROTEIN SUGAR BINDING PROTE
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-AC GLUCOSAMINE HOMO SAPIENS LECTIN COLLAGEN ACIDIC PH COMPLEMENT SUGAR-BINDING PROTEGLYCOPROTEIN POLYMORPHISM INNATE IMMUNITY SUGAR BINDING
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
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 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 426 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 1144 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 (2D)
Ligand no: 1; Ligand: SLB; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 42D 0.758621 0.875
4 18D 0.758621 0.955556
5 NGE 0.754386 0.933333
6 NGC 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 SIA CMO 0.59375 0.877551
10 CNP 0.58209 0.875
11 KDM 0.568965 0.72093
12 KDN 0.568965 0.72093
13 SIA SIA 0.565789 0.826923
14 SLB SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA SIA 0.558442 0.826923
16 SLB 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 0.4625 0.86
25 SID 0.459459 0.82
26 SIA SIA SIA 0.453488 0.826923
27 MUS 0.449438 0.796296
28 NXD 0.447368 0.792453
29 WIA SIA 0.447059 0.767857
30 2FG SIA 0.447059 0.796296
31 KDO 0.435484 0.704545
32 NAG SIA 0.430233 0.781818
33 BND 0.416667 0.807692
34 SKD 0.414286 0.875
35 GAL SIA SIA 0.410526 0.811321
36 E3M 0.402778 0.606061
37 4AM 0.4 0.833333
38 DAN 0.4 0.911111
Similar Ligands (3D)
Ligand no: 1; Ligand: SLB; Similar ligands found: 25
No: Ligand Similarity coefficient
1 49A 0.9691
2 DF4 0.9637
3 9AM 0.9632
4 G28 0.9440
5 GC9 0.9229
6 G39 0.9133
7 0HX 0.8987
8 9GW 0.8953
9 ST5 0.8932
10 2H8 0.8925
11 9GT 0.8899
12 9GQ 0.8829
13 R2D 0.8749
14 ST4 0.8724
15 ZMR 0.8720
16 5M8 0.8713
17 RP6 0.8712
18 EEW 0.8699
19 9GN 0.8696
20 53Q 0.8637
21 KFN 0.8620
22 NG1 0.8607
23 GYG 0.8570
24 LNV 0.8560
25 FIR 0.8532
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2jhk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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