Receptor
PDB id Resolution Class Description Source Keywords
5fkp 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MOUSE CD1D IN COMPLEX WITH THE P99 MUS MUSCULUS IMMUNE SYSTEM CD1D ANTIGEN PRESENTATION ALPHA-HELICAL
Ref.: STRUCTURE OF AN ALPHA-HELICAL PEPTIDE AND LIPOPEPTI TO THE NON-CLASSICAL MHC CLASS I MOLECULE CD1D J.BIOL.CHEM. V. 291 10677 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1286;
A:1280;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
GOL A:1290;
B:1100;
A:1288;
A:1289;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NAG NAG FUC BMA MAN D:1;
 Invalid;
 none;
 submit data
n/a n/a
TAR B:1101;
 Invalid;
 none;
 submit data
150.087 C4 H6 O6 [C@H]...
6UL A:1287;
 Valid;
 Atoms found LESS than expected: % Diff = 0.238;
 submit data
593.062 C40 H80 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FKP 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MOUSE CD1D IN COMPLEX WITH THE P99 MUS MUSCULUS IMMUNE SYSTEM CD1D ANTIGEN PRESENTATION ALPHA-HELICAL
Ref.: STRUCTURE OF AN ALPHA-HELICAL PEPTIDE AND LIPOPEPTI TO THE NON-CLASSICAL MHC CLASS I MOLECULE CD1D J.BIOL.CHEM. V. 291 10677 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6UL; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 6UL 1 1
2 CUY 1 1
3 CNS 1 1
4 T80 0.5625 0.777778
5 EKG 0.510638 0.606061
6 1QW 0.510638 0.606061
7 GYM 0.510638 0.606061
8 TGL 0.5 0.724138
9 56S 0.488372 0.791667
10 L2C 0.461538 0.677419
11 FAW 0.461538 0.677419
12 DDR 0.461538 0.677419
13 1EM 0.461538 0.677419
14 DGA 0.461538 0.677419
15 TWN 0.457627 0.65625
16 2JT 0.456522 0.625
17 G2A 0.456522 0.625
18 DAO 0.435897 0.68
19 PLM 0.435897 0.68
20 F23 0.435897 0.68
21 TDA 0.435897 0.68
22 DKA 0.435897 0.68
23 F15 0.435897 0.68
24 11A 0.435897 0.68
25 KNA 0.435897 0.68
26 STE 0.435897 0.68
27 X90 0.435897 0.68
28 DCR 0.435897 0.68
29 EW8 0.435897 0.68
30 MYR 0.435897 0.68
31 OCA 0.410256 0.68
32 VA 0.408163 0.954545
33 LBR 0.40678 0.606061
Similar Ligands (3D)
Ligand no: 1; Ligand: 6UL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FKP; Ligand: 6UL; 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: 5fkp.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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