Receptor
PDB id Resolution Class Description Source Keywords
3G1B 1.45 Å EC: 3.-.-.- THE STRUCTURE OF THE M53A MUTANT OF CAULOBACTER CRESCENTUS C PROTEASE ADAPTOR PROTEIN IN COMPLEX WITH WLFVQRDSKE PEPTIDE CAULOBACTER VIBRIOIDES ADAPTOR PROTEIN-PEPTIDE COMPLEX PEPTIDE-BINDING PROTEIN PBINDING PROTEIN
Ref.: MOLECULAR BASIS OF SUBSTRATE SELECTION BY THE N-END ADAPTOR PROTEIN CLPS. PROC.NATL.ACAD.SCI.USA V. 106 8888 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1;
B:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
TRP LEU PHE VAL GLN ARG ASP SER LYS GLU C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
449.575 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DNJ 1.15 Å EC: 3.-.-.- THE STRUCTURE OF THE CAULOBACTER CRESCENTUS CLPS PROTEASE AD PROTEIN IN COMPLEX WITH A N-END RULE PEPTIDE CAULOBACTER VIBRIOIDES ADAPTOR PROTEIN-PEPTIDE COMPLEX PEPTIDE BINDING PROTEIN
Ref.: THE MOLECULAR BASIS OF N-END RULE RECOGNITION. MOL.CELL V. 32 406 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 3DNJ - TYR LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
2 3G1B - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
3 3GW1 - PHE GLY GLY n/a n/a
4 3G19 - LEU LEU LEU n/a n/a
5 3GQ1 - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 3DNJ - TYR LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
2 3G1B - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
3 3GW1 - PHE GLY GLY n/a n/a
4 3G19 - LEU LEU LEU n/a n/a
5 3GQ1 - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3O2B - PHE ARG SER LYS GLY GLU GLU LEU PHE THR n/a n/a
2 2WA8 Kd = 3.8 uM PHE ARG SER LYS GLY GLU GLU LEU PHE THR n/a n/a
3 3DNJ - TYR LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
4 3G1B - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
5 3GW1 - PHE GLY GLY n/a n/a
6 3G19 - LEU LEU LEU n/a n/a
7 3GQ1 - TRP LEU PHE VAL GLN ARG ASP SER LYS GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TRP LEU PHE VAL GLN ARG ASP SER LYS GLU; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 1 1
2 TRP GLU GLU LEU 0.56383 0.875
3 LYS LEU LEU PHE 0.550562 0.693878
4 ALA LEU ASP LYS TRP GLN ASN 0.53271 0.792453
5 ALA TRP LEU PHE GLU ALA 0.527273 0.914894
6 PRO GLN PHE SER LEU TRP LYS ARG 0.516393 0.741379
7 ALA ALA TRP LEU PHE GLU ALA 0.513043 0.914894
8 0ZN 0.49 0.833333
9 TYR TRP ALA ALA ALA ALA 0.485714 0.854167
10 ARG LEU TRP SER 0.468468 0.711864
11 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.457364 0.763636
12 PRO ALA TRP LEU PHE GLU ALA 0.449612 0.796296
13 ALA PRO ALA TRP LEU PHE GLU ALA 0.441176 0.716667
14 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.438462 0.811321
15 GLU LEU ASP HOX TRP ALA SER 0.433071 0.767857
16 FLX 0.432692 0.677966
17 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.432432 0.651515
18 GLU LEU ASP ORN TRP ALA SER 0.432 0.75
19 PRO LEU PAT 0.429907 0.7
20 VAL GLY LEU TRP LYS SER 0.429825 0.792453
21 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.429688 0.754386
22 ALA LEU ASP LYS TRP ASP 0.422414 0.777778
23 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.422222 0.708333
24 ALA ALA PHE 0.418605 0.674419
25 GLU LEU ASP HIS TRP ALA SER 0.418605 0.736842
26 GLU LEU ASP LYS TRP ALA SER 0.417323 0.736842
27 GLU LEU ASP LYS TRP ALA GLY 0.416 0.777778
28 GLU LEU GLU LYS TRP ALA SER 0.416 0.75
29 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.415493 0.704918
30 GLU LEU ASP LYS TRP ALA ASN 0.414062 0.75
31 SER TRP PHE PRO 0.413793 0.609375
32 X95 0.411215 0.698113
33 LSW 0.411215 0.698113
34 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.410714 0.857143
35 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.408696 0.84
36 R38 0.408602 0.7
37 R59 0.408602 0.7
38 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.407407 0.811321
39 PRO GLY LEU TRP 0.40708 0.777778
40 GM6 0.405941 0.727273
41 ASP TRP ASN 0.405941 0.76
42 ASP GLU ASP LYS TRP ASP ASP PHE 0.403361 0.722222
43 ALA LEU ASP LYS TRP ALA SER 0.403226 0.736842
44 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.401575 0.666667
45 GLY LEU MET TRP LEU SER TYR PHE VAL 0.4 0.68254
Similar Ligands (3D)
Ligand no: 1; Ligand: TRP LEU PHE VAL GLN ARG ASP SER LYS GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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