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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. V. 201 108 2018
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 LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
submit data
160.221 n/a O=CC(...
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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. V. 201 108 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 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 (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 5MFE - ARG ARG ARG ARG ARG ARG ARG ARG n/a n/a
6 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 1039 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: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS ARG LYS ARG LYS ARG LYS ARG 1 1
2 AAR 0.487179 0.848485
3 DAR 0.463415 0.848485
4 ARG 0.463415 0.848485
5 ARG ASP 0.461538 0.666667
6 BEZ NLE LYS ARG OAR 0.438596 0.756757
7 ARG ALA ARG 0.413793 0.717949
8 ALA ARG 0.411765 0.7
9 ARG ILE ALA ALA ALA 0.40678 0.682927
10 GLY ALA ARG 0.403509 0.7
11 CYS ALA ARG ALA TYR 0.4 0.7
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 with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 5mfi.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 1M2Z BOG None
2 4LSJ LSJ None
3 4WG0 CHD None
4 3KU0 ADE None
5 1R6N 434 None
6 1JAC AMG None
7 1KUJ MMA None
8 4MGA 27L None
9 3AI3 SOE None
10 1UGY GLA GLC None
11 1UGW GAL None
12 5VRH OLB 2.05761
13 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.46914
14 5NWI TYR PHE SER SEP ASN 2.46914
15 3GF2 SAL 2.73973
16 2HHP FLC 2.88066
17 5XJ7 87O 2.98507
18 1ELR ACE MET GLU GLU VAL ASP 3.05344
19 3TDC 0EU 3.29218
20 5EE7 5MV 3.7037
21 4DE3 DN8 3.7037
22 4DE2 DN3 3.7037
23 2ZL4 ALA ALA ALA ALA 4.08163
24 1XVB 3BR 4.11523
25 4I90 CHT 4.11523
26 2BCG GER 4.85437
27 5V3Y 5V8 6.17284
28 5YEE LAB 6.17284
29 4B1X LAB 6.17284
30 1NF8 BOG 6.28019
31 4L8V NAP 6.58436
32 5LX9 OLB 6.99588
33 5OCA 9QZ 7.93651
34 1ND4 KAN 12.3457
35 1FCH TYR GLN SER LYS LEU 14.4033
36 5V03 658 15.4362
37 5LWY OLB 15.8879
38 4Q0A 4OA 18.93
39 2Y69 CHD 19.0789
40 4OGQ 7PH 24.1379
41 4OGQ UMQ 24.1379
42 5Z84 CHD 26.6055
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