Receptor
PDB id Resolution Class Description Source Keywords
5MFI 1.45 Å NON-ENZYME: OTHER DESIGNED ARMADILLO REPEAT PROTEIN YIII(DQ.V2)4CQI IN COMPLEX PEPTIDE (KR)4 SYNTHETIC CONSTRUCT DESIGNED ARMADILLO REPEAT PROTEIN PEPTIDE BINDING DE NOVO DE NOVO PROTEIN
Ref.: CURVATURE OF DESIGNED ARMADILLO REPEAT PROTEINS ALL MODULAR PEPTIDE BINDING. J. STRUCT. BIOL. 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS ARG LYS ARG LYS ARG LYS ARG D:1;
C:1;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 1.123;
Atoms found MORE than expected: % Diff = 1.235;
submit data
1148.54 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MFI 1.45 Å NON-ENZYME: OTHER DESIGNED ARMADILLO REPEAT PROTEIN YIII(DQ.V2)4CQI IN COMPLEX PEPTIDE (KR)4 SYNTHETIC CONSTRUCT DESIGNED ARMADILLO REPEAT PROTEIN PEPTIDE BINDING DE NOVO DE NOVO PROTEIN
Ref.: CURVATURE OF DESIGNED ARMADILLO REPEAT PROTEINS ALL MODULAR PEPTIDE BINDING. J. STRUCT. BIOL. 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
5 5MFF - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
6 5AEI Kd = 1.1 nM LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
7 5MFE - ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
8 5MFG - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5MFK - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
2 4D49 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5MFJ - LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
4 5MFI - LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
5 5MFH - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
6 5MFF - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
7 5AEI Kd = 1.1 nM LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG n/a n/a
8 5MFE - ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
9 5MFG - ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS ARG LYS ARG LYS ARG LYS ARG; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS ARG LYS ARG LYS ARG LYS ARG 1 1
2 ARG ARG ARG ARG ARG ARG ARG ARG 0.836066 0.97561
3 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.712121 0.953488
4 LYS ARG LYS 0.681818 0.930233
5 GLU ALY ARG 0.618421 0.851064
6 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.613333 0.833333
7 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.605263 0.909091
8 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.573529 0.930233
9 THR ALA ARG M3L SER THR 0.556962 0.706897
10 ARG ALA ARG 0.549296 0.904762
11 ALA ARG THR LYS GLN THR ALA ARG 0.531915 0.82
12 ALA ARG THR LYS GLN THR ALA ARG LYS 0.531915 0.82
13 ALA ARG LYS LEU ASP 0.530864 0.816327
14 LYS LYS LYS ALA 0.529412 0.727273
15 ALA ARG M3L SER 0.52439 0.706897
16 ACE ALA ARG THR LYS GLN 0.523256 0.816327
17 ARG ARG ALA ALA 0.52 0.866667
18 ARG ASP ARG ALA ALA LYS LEU 0.518072 0.851064
19 LYS LYS LYS 0.515152 0.744186
20 LYS ALA ALA ARG M3L SER ALA 0.505263 0.683333
21 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.482143 0.732143
22 GLY ALA ARG 0.479452 0.840909
23 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.472727 0.706897
24 ARG ARG ALA THR LYS MET NH2 0.46875 0.759259
25 ASN LEU LEU GLN LYS LYS 0.465116 0.6875
26 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.465116 0.784314
27 ALA ILE ARG SER 0.464286 0.77551
28 LYS DAB LYS 0.463768 0.727273
29 ASN ARG LEU ILE LEU THR GLY 0.462366 0.77551
30 ARG LEU GLY GLU SER 0.460526 0.787234
31 ALA TYR ARG 0.458824 0.745098
32 SER ARG LYS ILE ASP ASN LEU ASP 0.457944 0.732143
33 LYS NLE LYS 0.452055 0.680851
34 GLU ARG GLY SER GLY ARG 0.450549 0.8
35 ARG ARG ARG GLU ARG SER PRO THR ARG 0.45045 0.650794
36 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.45045 0.672131
37 LYS PHE LYS 0.45 0.704545
38 LYS ARG ARG LYS SEP VAL 0.449438 0.732143
39 ARG ASP ALA ALA 0.448718 0.826087
40 ALA ARG THR MLY GLN THR ALA ARG LYS 0.446602 0.694915
41 LYS ARG ARG ARG HIS PRO SER 0.446429 0.672131
42 LYS GLN LYS 0.445946 0.75
43 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.442105 0.677966
44 ALA MET ARG VAL 0.440476 0.77551
45 LYS NVA LYS 0.438356 0.695652
46 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.438202 0.740741
47 ALA ARG LYS ILE ASP ASN LEU ASP 0.438095 0.773585
48 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.435644 0.621212
49 ACE ARG LYS VAL ARG MET 5XU 0.435294 0.77551
50 LYS ORN LYS 0.434211 0.790698
51 ARG SER ARG 0.434211 0.8125
52 GLY ASP GLU VAL LYS VAL PHE ARG 0.432432 0.769231
53 LYS GLU LYS 0.432432 0.727273
54 ARG ARG ARG ARG SER TRP TYR 0.431193 0.645161
55 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.43 0.82
56 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.745098
57 ALA PRO ALA LEU ARG VAL VAL LYS 0.428571 0.851064
58 GLN ARG ALA THR LYS MET NH2 0.425743 0.727273
59 LYS LYS 0.424242 0.674419
60 ARG ARG GLY ILE NH2 0.423529 0.829787
61 ARG ARG GLY LEU NH2 0.423529 0.829787
62 SER LEU LEU LYS LYS LEU LEU ASP 0.423529 0.641509
63 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.423077 0.788462
64 ALA ARG LYS SEP THR GLY GLY LYS 0.422018 0.694915
65 ARG GLU ALA ALA 0.421687 0.826087
66 ARG ARG GLY CYS NH2 0.421687 0.886364
67 SER SER ARG LYS GLU TYR TYR ALA 0.42 0.714286
68 MET ARG THR GLY ASN ALA XSN 0.419355 0.716981
69 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.417722 0.844444
70 ARG ASP 0.416667 0.822222
71 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.415929 0.706897
72 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.415929 0.745455
73 LYS MET LYS 0.415584 0.653061
74 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.412281 0.683333
75 ALA LYS GLU LYS SER ASP 0.411765 0.693878
76 ALA ARG TPO LYS 0.406593 0.745455
77 ARG GLU 0.405405 0.840909
78 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.404762 0.677966
79 ARG PRO LYS ARG ILE ALA 0.40367 0.694915
80 ARG HIS LYS ALY LEU MET PHE LYS 0.403226 0.655738
81 LYS DPP LYS 0.402778 0.711111
82 LYS LEU LEU PHE 0.402299 0.645833
83 LYS ASN LYS 0.4 0.702128
84 ARG GLY ASP 0.4 0.826087
85 VAL ALA PHE ARG SER 0.4 0.745098
86 PRO PRO LYS LYS LYS ARG LYS VAL 0.4 0.701754
87 ALA ARG THR ALY GLN THR ALA 0.4 0.788462
88 LYS LEU LYS 0.4 0.680851
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MFI; Ligand: LYS ARG LYS ARG LYS ARG LYS ARG; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5mfi.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M2Z BOG 0.0002665 0.5628 None
2 3KU0 ADE 0.02833 0.44106 None
3 4MGA 27L 0.03208 0.43507 None
4 1JAC AMG 0.03658 0.4241 None
5 1UGY GLA GLC 0.04342 0.4068 None
6 1UGW GAL 0.045 0.4033 None
7 5VRH OLB 0.04 0.43124 2.05761
8 2HHP FLC 0.04404 0.44149 2.88066
9 1ELR ACE MET GLU GLU VAL ASP 0.01791 0.42967 3.05344
10 3TDC 0EU 0.02848 0.4319 3.29218
11 5EE7 5MV 0.008768 0.47285 3.7037
12 2ZL4 ALA ALA ALA ALA 0.02971 0.43212 4.08163
13 1XVB 3BR 0.01206 0.44986 4.11523
14 4I90 CHT 0.02549 0.43125 4.11523
15 4B1Y LAB 0.04768 0.42046 6.17284
16 4B1X LAB 0.04853 0.42002 6.17284
17 5OCA 9QZ 0.0001328 0.59777 7.93651
Feedback