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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 209 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 175 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 149 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: 63
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 PRO ALY SER ILE ILE 0.414365 0.736842
52 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.41358 0.828125
53 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.411043 0.918033
54 THR LYS ASN TYR LYS GLN PHE SER VAL 0.410959 0.852459
55 THR PHE LYS LYS THR ASN 0.410448 0.813559
56 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.409357 0.779412
57 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.407895 0.818182
58 ILE SER PRO ARG THR LEU ASP ALA TRP 0.406593 0.77027
59 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.405882 0.835821
60 MET LEU ILE TYR SER MET TRP GLY LYS 0.405714 0.811594
61 PRO GLN PRO VAL ASP SER TRP VAL 0.403614 0.848485
62 SER LEU LEU MET TRP ILE THR GLN SER 0.402516 0.859375
63 ACE PRO TRP ALA THR CYS ASP SER NH2 0.401235 0.811594
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: 73
This union binding pocket(no: 1) in the query (biounit: 1xoc.bio3) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 1PTR PRB None
2 3A06 NDP 1.32979
3 3HQP FDP 1.40281
4 4RDL FUC GAL NDG FUC 1.94805
5 5WHT SIA 2.17391
6 5WHT SIA GAL 2.17391
7 2Z3U CRR 2.35294
8 6FTB M0E 2.38095
9 4RHS SIA SIA GAL 2.45902
10 1OIJ AKG 2.65781
11 2RG0 CBI 2.7907
12 3WXL ADP 2.88462
13 4KQP GLN 3.01724
14 6MFL OPV 3.24675
15 1LQY BB2 3.26087
16 2OKL BB2 3.78378
17 5JY4 ISC 3.83632
18 2CIX CEJ 4.01338
19 5AWQ GLC GLC 4.03846
20 2X1L MET 4.03846
21 1G27 BB1 4.16667
22 3UW5 MAA CHG PRO 0DQ 4.31034
23 1NXJ TLA 4.37158
24 3BWR GAL NGA SIA GAL BGC 4.41176
25 4EOY ASN ASP TRP LEU LEU PRO SER TYR 4.6875
26 3G6N MET ALA SER 4.71204
27 2Z49 AMG 4.86111
28 3ZKN WZV 4.92228
29 4C2C ALA ALA ALA 4.93274
30 3GJB AKG 5.01567
31 1KQR MNA 5.02793
32 5MTE BB2 5.10949
33 4NDN PPK 5.26316
34 3CM2 X23 5.38462
35 1SQL GUN 5.47945
36 5OQW A4E 5.51181
37 4DS0 A2G GAL NAG FUC 5.52147
38 3KYF 5GP 5GP 5.62771
39 2FOJ GLY ALA ARG ALA HIS SER SER 5.80645
40 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
41 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.01852
42 3KYG 5GP 5GP 6.1674
43 4DR9 BB2 6.25
44 5C83 4YN 6.36364
45 4MJ0 SIA SIA GAL 6.54545
46 4MJ0 BGC SIA SIA GAL 6.54545
47 4MJ0 SIA SIA 6.54545
48 2ZL4 ALA ALA ALA ALA 6.63265
49 5Y4R C2E 6.89655
50 2VSL MAA LYS PRO PHE 7.29167
51 4X17 SIA 7.35294
52 4X17 SIA SIA 7.35294
53 4JE7 BB2 8.12183
54 5FUI APY 8.33333
55 4M1U A2G MBG 8.57143
56 4D52 GXL 8.57143
57 3IVV ASP GLU VAL THR SER THR THR SER SER SER 8.96552
58 3I7S PYR 9.93151
59 5GJH SER ASP PTR MET ASN MET THR PRO 10
60 4P9Z NMI PTR 02K ASN NH2 11.1111
61 5L83 ASP TRP GLU ILE VAL 11.6071
62 3UWB BB2 11.6883
63 1X8X TYR 14.9068
64 3IWD M2T 17.7419
65 5E6O TRP GLU GLU LEU 17.7966
66 4FAJ LEU VAL THR LEU VAL PHE VAL 20
67 3O9P MHI 27.553
68 2Z23 LYS LYS LYS 27.6596
69 3E3U NVC 29.4416
70 3TCG LYS GLY GLU 37.5
71 6DQU GLY ILE ILE ASN THR LEU 38.4615
72 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 39.4231
73 6HLX G9Z 45.3252
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