Receptor
PDB id Resolution Class Description Source Keywords
1XOC 1.55 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF THE OLIGOPEPTIDE-BINDING PROTEIN, APPA, FRO SUBTILIS IN COMPLEX WITH A NONAPEPTIDE. BACILLUS SUBTILIS OLIGOPEPTIDE APPA TRANSPORT BACILLUS SUBTILIS TRANSPORT
Ref.: THE STRUCTURE OF THE OLIGOPEPTIDE-BINDING PROTEIN, FROM BACILLUS SUBTILIS IN COMPLEX WITH A NONAPEPTID J.MOL.BIOL. V. 345 879 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VAL ASP SER LYS ASN THR SER SER TRP B:1;
Valid;
none;
submit data
993.086 n/a O=C(N...
ZN A:521;
A:522;
A:523;
A:524;
A:525;
A:526;
A:527;
A:528;
A:529;
A:530;
A:531;
A:532;
A:533;
A:534;
A:535;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XOC 1.55 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF THE OLIGOPEPTIDE-BINDING PROTEIN, APPA, FRO SUBTILIS IN COMPLEX WITH A NONAPEPTIDE. BACILLUS SUBTILIS OLIGOPEPTIDE APPA TRANSPORT BACILLUS SUBTILIS TRANSPORT
Ref.: THE STRUCTURE OF THE OLIGOPEPTIDE-BINDING PROTEIN, FROM BACILLUS SUBTILIS IN COMPLEX WITH A NONAPEPTID J.MOL.BIOL. V. 345 879 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1XOC - VAL ASP SER LYS ASN THR SER SER TRP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 1XOC - VAL ASP SER LYS ASN THR SER SER TRP n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1XOC - VAL ASP SER LYS ASN THR SER SER TRP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VAL ASP SER LYS ASN THR SER SER TRP; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL ASP SER LYS ASN THR SER SER TRP 1 1
2 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.605634 0.966102
3 GLU ASN ASP LYS TRP ALA SER 0.553957 0.948276
4 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.55102 0.966102
5 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.549669 0.863636
6 ALA SER ASN GLU ASN TRP GLU THR MET 0.535714 0.873016
7 ALA LEU ASP LYS TRP ALA SER 0.521739 0.932203
8 GLU ALA ASP LYS TRP GLN SER 0.51049 0.898305
9 GLU GLN ASP LYS TRP ALA SER 0.506944 0.898305
10 ALA LEU ASP LYS TRP GLN ASN 0.503759 0.864407
11 ALA LEU ASP LYS TRP ASP 0.5 0.881356
12 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.49375 0.811594
13 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.493333 0.949153
14 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.490446 0.848485
15 GLU LEU ASP LYS TRP ALA SER 0.489655 0.932203
16 THR SER THR THR SER VAL ALA SER SER TRP 0.488889 0.896552
17 GLU LEU ASP LYS TRP ALA ASN 0.486301 0.915254
18 ASP GLU ASP LYS TRP ASP ASP PHE 0.481752 0.830508
19 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.471264 0.75
20 PRO ALA TRP ASP GLU THR ASN LEU 0.467949 0.934426
21 ASP SER TRP LYS ASP GLY CYS TYR 0.458599 0.857143
22 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.454545 0.806452
23 SER TRP PHE GLN THR ASP LEU 0.453947 0.9
24 GLU LEU ASP ORN TRP ALA SER 0.452703 0.915254
25 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.452055 0.864407
26 ILE ASP TRP PHE ASP GLY LYS ASP 0.45098 0.822581
27 GLU LEU ASP LYS TRP ALA GLY 0.44898 0.85
28 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.446541 0.85
29 THR LYS ASN TYR LYS GLN THR SER VAL 0.445205 0.836066
30 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.444444 0.730769
31 ACE ASN TRP GLU THR PHE 0.444444 0.85
32 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.443114 0.904762
33 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.440217 0.721519
34 ILE ASP TRP PHE ASP GLY LYS GLU 0.436709 0.822581
35 MET ASN TRP ASN ILE 0.435115 0.783333
36 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.432099 0.934426
37 GLU LEU ASP NRG TRP ALA SER 0.43125 0.72
38 GLU LEU GLU LYS TRP ALA SER 0.42953 0.883333
39 ILE ASP TRP PHE GLU GLY LYS GLU 0.427673 0.793651
40 CYS THR GLU LEU LYS LEU SER ASP TYR 0.426667 0.806452
41 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.426035 0.873016
42 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.425532 0.816667
43 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.425532 0.721519
44 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.42 0.806452
45 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.41958 0.80303
46 ALA SER ASN GLU ASP MET GLU THR MET 0.41791 0.714286
47 VAL THR THR ASP ILE GLN VAL LYS VAL 0.417266 0.75
48 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.416667 0.753425
49 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.415205 0.794521
50 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.414634 0.78125
51 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.414474 0.861538
52 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.414365 0.736842
53 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.41358 0.828125
54 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.411043 0.918033
55 THR LYS ASN TYR LYS GLN PHE SER VAL 0.410959 0.852459
56 THR PHE LYS LYS THR ASN 0.410448 0.813559
57 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.409357 0.779412
58 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.407895 0.818182
59 ILE SER PRO ARG THR LEU ASP ALA TRP 0.406593 0.77027
60 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.405882 0.835821
61 MET LEU ILE TYR SER MET TRP GLY LYS 0.405714 0.811594
62 PRO GLN PRO VAL ASP SER TRP VAL 0.403614 0.848485
63 SER LEU LEU MET TRP ILE THR GLN SER 0.402516 0.859375
64 ACE PRO TRP ALA THR CYS ASP SER NH2 0.401235 0.811594
65 TYR TYR GLU SER ASP TRP LEU 0.4 0.854839
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XOC; Ligand: VAL ASP SER LYS ASN THR SER SER TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xoc.bio3) has 41 residues
No: Leader PDB Ligand Sequence Similarity
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