Receptor
PDB id Resolution Class Description Source Keywords
2XCB 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PCRH IN COMPLEX WITH THE CHAPERONE BINDING REGION OF POPD PSEUDOMONAS AERUGINOSA PROTEIN TRANSPORT BACTERIAL TOXIN TYPE III SECRETION PROTEIN BINDING
Ref.: STRUCTURAL BASIS OF CHAPERONE RECOGNITION OF TYPE III SECRETION SYSTEM MINOR TRANSLOCATOR PROTEINS. J.BIOL.CHEM. V. 285 23224 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN C:48;
Valid;
none;
submit data
854 n/a O=C([...
NO3 B:1157;
Invalid;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XCB 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PCRH IN COMPLEX WITH THE CHAPERONE BINDING REGION OF POPD PSEUDOMONAS AERUGINOSA PROTEIN TRANSPORT BACTERIAL TOXIN TYPE III SECRETION PROTEIN BINDING
Ref.: STRUCTURAL BASIS OF CHAPERONE RECOGNITION OF TYPE III SECRETION SYSTEM MINOR TRANSLOCATOR PROTEINS. J.BIOL.CHEM. V. 285 23224 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 1 1
2 LEU ASP PRO ARG 0.536585 0.920635
3 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.506944 0.909091
4 ARG ARG ARG GLU ARG SER PRO THR ARG 0.5 0.852941
5 ALA MET ALA PRO ARG THR LEU LEU LEU 0.5 0.871429
6 LYS PRO VAL LEU ARG THR ALA 0.482269 0.909091
7 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.477941 0.671642
8 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.477941 0.671642
9 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.477124 0.925373
10 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.471831 0.880597
11 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.469799 0.884058
12 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.462585 0.910448
13 ACE GLN GLU ARG GLU VAL PRO CYS 0.461538 0.921875
14 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.461538 0.84375
15 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.461039 0.797297
16 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.455172 0.893939
17 LEU PRO PRO GLU GLU ARG LEU ILE 0.454545 0.907692
18 GLU ARG THR ILE PRO ILE THR ARG GLU 0.451389 0.882353
19 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.450704 0.867647
20 SER MET PRO GLU LEU SER PRO VAL LEU 0.44898 0.75
21 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.448864 0.821918
22 ALA ARG MLZ SER ALA PRO ALA THR 0.447552 0.869565
23 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.445783 0.871429
24 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.445783 0.898551
25 LEU PRO PHE GLU ARG ALA THR VAL MET 0.443114 0.847222
26 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.443038 0.880597
27 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.440252 0.897059
28 SER ALA PRO ASP THR ARG PRO ALA 0.438356 0.869565
29 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.437909 0.855072
30 THR PRO GLN ASP LEU ASN THR MET LEU 0.437086 0.75
31 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.435583 0.882353
32 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.435374 0.80597
33 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.433824 0.861538
34 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.433333 0.710145
35 PHE PRO ARG 0.433071 0.769231
36 GLU LEU PRO LEU VAL LYS ILE 0.432624 0.796875
37 ASN ARG PRO ILE LEU SER LEU 0.431507 0.897059
38 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.430303 0.705128
39 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.430233 0.885714
40 SER PRO LYS ARG ILE ALA 0.429577 0.865672
41 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.428571 0.760563
42 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.428571 0.819444
43 SER PRO ARG LEU PRO LEU LEU GLU SER 0.425532 0.875
44 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.424658 0.808824
45 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.424658 0.791045
46 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.422619 0.818182
47 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.422619 0.813333
48 ARG PRO LYS ARG ILE ALA 0.422535 0.876923
49 PHE ASN ARG PRO VAL 0.422535 0.923077
50 ACE GLU VAL ASN PRO 0.420635 0.857143
51 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.420382 0.797297
52 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.420382 0.867647
53 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.42 0.882353
54 LEU PRO GLU THR GLY 0.419847 0.80303
55 ARG GLU ARG SER PRO THR ARG 0.419847 0.863636
56 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.419355 0.676056
57 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.418605 0.707692
58 ALA ARG LYS ILE ASP ASN LEU ASP 0.41844 0.757576
59 ARG ARG ALA SEP ALA PRO LEU PRO 0.418301 0.808219
60 ALA ALA ARG KCR SER ALA PRO ALA 0.418301 0.880597
61 ARG SER ALA SEP GLU PRO SER LEU 0.417722 0.835616
62 ARG PRO LYS PRO LEU VAL ASP PRO 0.417266 0.861538
63 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.416058 0.869565
64 ALA PRO ASP THR ARG PRO 0.415493 0.882353
65 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.415205 0.885714
66 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.414966 0.791045
67 VAL MET ALA PRO ARG THR LEU PHE LEU 0.414634 0.847222
68 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.414634 0.80597
69 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.414365 0.815789
70 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.41358 0.756757
71 CYS THR PRO SER ARG 0.413043 0.811594
72 LYS PRO SEP GLN GLU LEU 0.413043 0.75
73 ASN LEU VAL PRO THR VAL ALA THR VAL 0.412587 0.80597
74 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.411765 0.75
75 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.411392 0.708861
76 ARG PRO PRO LYS PRO ARG PRO ARG 0.411348 0.784615
77 ILE SER PRO ARG THR LEU ASP ALA TRP 0.411111 0.813333
78 ASN LEU VAL PRO SER VAL ALA THR VAL 0.410959 0.808824
79 ARG THR PRO SEP LEU PRO THR 0.410596 0.773333
80 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.409722 0.80597
81 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.409357 0.871429
82 5JP PRO LYS ARG ILE ALA 0.408163 0.84058
83 ASN LEU VAL PRO MET VAL ALA THR VAL 0.407895 0.760563
84 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.406897 0.833333
85 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.406452 0.772727
86 HIS VAL ALA VAL GLU ASN ALA LEU 0.405594 0.681818
87 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.404494 0.782051
88 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.402778 0.846154
89 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.402685 0.80597
90 TYR PRO LYS ARG ILE ALA 0.402597 0.802817
91 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.402439 0.885714
92 SIN ALA ALA PRO LYS 0.401575 0.730159
Similar Binding Sites (Proteins are less than 50% similar to leader)
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