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 A:1281;
Invalid;
none;
submit data n/a n/a 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 199 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 65 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 43 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6UL; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 6UL 1 1
2 CNS 1 1
3 T80 0.5625 0.777778
4 GYM 0.510638 0.606061
5 TGL 0.5 0.724138
6 56S 0.488372 0.791667
7 DDR 0.461538 0.677419
8 DGA 0.461538 0.677419
9 L2C 0.461538 0.677419
10 TWN 0.457627 0.65625
11 2JT 0.456522 0.625
12 G2A 0.456522 0.625
13 F23 0.435897 0.68
14 TDA 0.435897 0.68
15 11A 0.435897 0.68
16 STE 0.435897 0.68
17 MYR 0.435897 0.68
18 F15 0.435897 0.68
19 PLM 0.435897 0.68
20 DAO 0.435897 0.68
21 DKA 0.435897 0.68
22 DCR 0.435897 0.68
23 KNA 0.435897 0.68
24 OCA 0.410256 0.68
25 VA 0.408163 0.954545
26 LBR 0.40678 0.606061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FKP; Ligand: 6UL; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5fkp.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XMY CDK 0.01699 0.4029 2.45614
2 1W6O LAT 0.0177 0.40575 4.47761
3 1DZK PRZ 0.01011 0.41633 5.09554
4 3KYG 5GP 5GP 0.006891 0.4134 5.28634
5 5E89 TD2 0.004607 0.42867 5.7554
6 2CDO GAL AAL GAL AAL GAL AAL 0.01391 0.40724 7.5
7 2OVD DAO 0.02125 0.41837 9.89011
8 1Y0G 8PP 0.005289 0.41011 10.101
9 4AIA ADK 0.01198 0.42611 11.1111
10 2Z77 HE7 0.002503 0.40754 11.5108
11 2ZHL NAG GAL GAL NAG 0.0009597 0.47025 16.1616
12 4XNV BUR 0.03437 0.40678 18.1818
13 4IAW LIZ 0.02861 0.40527 21.2121
14 4FFG 0U8 0.01152 0.43031 22.7273
15 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.01018 0.40579 22.7273
16 5M77 7K2 7K3 0.01706 0.40901 31.8182
17 1ZB6 GST 0.003471 0.40348 36.3636
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