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
852.992 n/a O=C(N...
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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN; Similar ligands found: 88
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 0.528 0.936508
3 ACE GLU VAL ASN ALA PRO VAL LPD 0.527559 0.846154
4 ARG ARG ARG GLU ARG SER PRO THR ARG 0.514286 0.852941
5 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.51049 0.909091
6 ACE GLN GLU ARG GLU VAL PRO CYS 0.5 0.921875
7 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.475 0.898551
8 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.473684 0.797297
9 LYS PRO VAL LEU ARG THR ALA 0.472222 0.909091
10 LEU PRO PRO GLU GLU ARG LEU ILE 0.471831 0.907692
11 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.470968 0.925373
12 ALA MET ALA PRO ARG THR LEU LEU LEU 0.468966 0.871429
13 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.468531 0.880597
14 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.462069 0.84375
15 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.462069 0.893939
16 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.45509 0.871429
17 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.453846 0.833333
18 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.450704 0.791045
19 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.45 0.671642
20 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.449664 0.925373
21 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.449102 0.882353
22 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.44375 0.882353
23 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.443709 0.923077
24 ARG SER LEU SEP ALA PRO GLY ASN 0.442177 0.821918
25 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.440252 0.897059
26 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.439716 0.80597
27 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.437909 0.884058
28 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.437909 0.855072
29 ACE GLU VAL ASN PRO 0.435484 0.857143
30 SER ALA PRO ASP THR ARG PRO ALA 0.435374 0.869565
31 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.435065 0.819444
32 LEU PRO PHE GLU ARG ALA THR VAL MET 0.434524 0.847222
33 ASN ARG PRO ILE LEU SER LEU 0.434483 0.897059
34 ACE SER LEU ARG PRO ALA PRO LPD 0.433566 0.882353
35 ARG PRO LYS ARG ILE ALA 0.433566 0.876923
36 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.430657 0.861538
37 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.430303 0.852941
38 THR PRO GLN ASP LEU ASN THR MET LEU 0.42953 0.75
39 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.42953 0.907692
40 ILE SER PRO ARG THR LEU ASP ALA TRP 0.429379 0.813333
41 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.428571 0.80597
42 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.427632 0.710145
43 PHE PRO ARG 0.426357 0.769231
44 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.426136 0.885714
45 ACE GLU VAL ASN PRO ALA VAL LPD 0.42446 0.846154
46 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.423841 0.882353
47 GLU ARG THR ILE PRO ILE THR ARG GLU 0.423611 0.852941
48 SER PRO LYS ARG ILE ALA 0.421429 0.850746
49 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.421053 0.884058
50 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.42069 0.80597
51 ACE PRO VAL GLN GLU THR NH2 0.419847 0.791045
52 5JP PRO LYS ARG ILE ALA 0.41958 0.826087
53 ARG SER ALA SEP GLU PRO SER LEU 0.417722 0.835616
54 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.417647 0.818182
55 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.416667 0.676056
56 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.415385 0.707692
57 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.414201 0.813333
58 PHE ASN ARG PRO VAL 0.413793 0.923077
59 ASN LEU VAL PRO SER VAL ALA THR VAL 0.413793 0.808824
60 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.41358 0.880597
61 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.412903 0.702703
62 VAL MET ALA PRO ARG THR LEU PHE LEU 0.412121 0.847222
63 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.410959 0.80597
64 ALA ARG MLZ SER ALA PRO ALA THR 0.410596 0.84507
65 SER MET PRO GLU LEU SER PRO VAL LEU 0.409722 0.763889
66 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.409091 0.771429
67 ARG ARG ALA SEP ALA PRO LEU PRO 0.409091 0.808219
68 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.407143 0.848485
69 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.40678 0.782051
70 ARG THR PRO SEP LEU PRO THR 0.406667 0.773333
71 ARG THR PRO SEP LEU PRO THR 49F 0.406667 0.773333
72 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.406452 0.760563
73 ACE GLU VAL ALA PRO PRO VAL LPD 0.405797 0.8
74 ASN LEU VAL PRO THR VAL ALA THR VAL 0.405594 0.80597
75 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.405405 0.808824
76 ACE ALA ALA ARG LBZ SER ALA PRO ALA 0.405063 0.867647
77 ARG PRO LYS PRO LEU VAL ASP PRO 0.404255 0.861538
78 ASN LEU VAL PRO MET VAL ALA THR VAL 0.403974 0.760563
79 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.402778 0.846154
80 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.402778 0.80597
81 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.402367 0.717949
82 LEU PRO GLU THR GLY 0.401515 0.818182
83 ARG PRO PRO LYS PRO ARG PRO ARG 0.401408 0.784615
84 GLU LEU PRO LEU VAL LYS ILE 0.401361 0.828125
85 SIN ALA ALA PRO LYS 0.4 0.777778
86 ALA PRO ASP THR ARG PRO ALA PRO 0.4 0.882353
87 TYR PRO LYS ARG ILE ALA 0.4 0.802817
88 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.4 0.820895
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN; 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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