Receptor
PDB id Resolution Class Description Source Keywords
3DBX 2 Å NON-ENZYME: IMMUNE STRUCTURE OF CHICKEN CD1-2 WITH BOUND FATTY ACID GALLUS GALLUS CD1 EVOLUTION ANTIGEN-PRESENTATION MHC-FOLD HYDROPHOBIC GROOVE IMMUNOGLOBULIN DOMAIN MEMBRANE TRANSMEMBRANE DISMUTATION GLYCATION GLYCOPROTEIN IMMUNE RESPONSE MHC I PYRROLIDONE CARBOXYLIC ACID SECRETED IMMUNE SYSTEM
Ref.: THE CRYSTAL STRUCTURE OF AVIAN CD1 REVEALS A SMALLE PRIMORDIAL ANTIGEN-BINDING POCKET COMPARED TO MAMMA PROC.NATL.ACAD.SCI.USA V. 105 17925 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:500;
A:511;
A:521;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PLM A:522;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DBX 2 Å NON-ENZYME: IMMUNE STRUCTURE OF CHICKEN CD1-2 WITH BOUND FATTY ACID GALLUS GALLUS CD1 EVOLUTION ANTIGEN-PRESENTATION MHC-FOLD HYDROPHOBIC GROOVE IMMUNOGLOBULIN DOMAIN MEMBRANE TRANSMEMBRANE DISMUTATION GLYCATION GLYCOPROTEIN IMMUNE RESPONSE MHC I PYRROLIDONE CARBOXYLIC ACID SECRETED IMMUNE SYSTEM
Ref.: THE CRYSTAL STRUCTURE OF AVIAN CD1 REVEALS A SMALLE PRIMORDIAL ANTIGEN-BINDING POCKET COMPARED TO MAMMA PROC.NATL.ACAD.SCI.USA V. 105 17925 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3DBX - PLM C16 H32 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 3DBX - PLM C16 H32 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 3DBX - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DBX; Ligand: PLM; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 3dbx.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXH OTP 0.02134 0.41803 1.86335
2 5CSD ACD 0.02892 0.4085 1.88679
3 4RW3 TDA 0.01344 0.41899 3.0303
4 4RW3 PLM 0.01391 0.4119 3.0303
5 4B7P 9UN 0.01749 0.42509 4.0404
6 5HGR 45D 0.01803 0.41492 5.05051
7 3LDW ZOL 0.02289 0.40636 5.05051
8 3LDW IPE 0.01815 0.40636 5.05051
9 4B5P ACO 0.005695 0.43099 5.5
10 4HIA FMN 0.03323 0.40149 5.68182
11 4EE7 PIS 0.0002521 0.48566 6.06061
12 5NTW 98N 0.02816 0.40186 6.06061
13 1NF8 BOG 0.02036 0.40359 7.07071
14 1YRX FMN 0.004534 0.40172 7.43802
15 3TDC 0EU 0.005333 0.42194 8.08081
16 2LBD REA 0.01032 0.41549 8.08081
17 3FUR Z12 0.03359 0.41034 8.08081
18 1VBJ CIT 0.03035 0.40241 8.08081
19 1DB1 VDX 0.004521 0.44265 8.88031
20 3QCJ NX4 0.002163 0.4483 9.09091
21 2AGC MYR 0.009146 0.4135 9.09091
22 4URN NOV 0.007054 0.42016 10.101
23 2NNQ T4B 0.02225 0.41338 10.687
24 5UI2 EQ3 0.02466 0.40699 11.7647
25 5LGA 6VH 0.001242 0.47313 12.1212
26 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.005378 0.43311 12.1212
27 5E7V M7E 0.021 0.40583 12.1212
28 4J25 OGA 0.01975 0.40056 13.1313
29 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01842 0.41328 14.1414
30 2HHP FLC 0.0001183 0.51104 14.8789
31 1TV5 N8E 0.001089 0.46041 16.1616
32 3VRV YSD 0.003976 0.4601 18.1818
33 3BEJ MUF 0.01022 0.41255 28.2828
34 1N46 PFA 0.01179 0.41415 36.3636
35 3ZKN WZV 0.004683 0.429 37.3737
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