Receptor
PDB id Resolution Class Description Source Keywords
6CDG 1.6 Å NON-ENZYME: OTHER GID4 FRAGMENT IN COMPLEX WITH A PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM SGC PEPTIDE BINDING PROTEIN
Ref.: MOLECULAR BASIS OF GID4-MEDIATED RECOGNITION OF DEG THE PRO/N-END RULE PATHWAY. NAT. CHEM. BIOL. V. 14 466 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UNX A:302;
A:301;
A:307;
A:308;
A:303;
A:310;
A:306;
A:309;
A:311;
A:304;
A:305;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
n/a X *
PRO GLY LEU TRP LYS SER B:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.02;
 Kd = 1.9 uM
671.82 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CDG 1.6 Å NON-ENZYME: OTHER GID4 FRAGMENT IN COMPLEX WITH A PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS CONSORTIUM SGC PEPTIDE BINDING PROTEIN
Ref.: MOLECULAR BASIS OF GID4-MEDIATED RECOGNITION OF DEG THE PRO/N-END RULE PATHWAY. NAT. CHEM. BIOL. V. 14 466 2018
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6CD8 Kd = 19.4 uM PRO SER ARG VAL n/a n/a
2 6CDG Kd = 1.9 uM PRO GLY LEU TRP LYS SER n/a n/a
3 6WZZ - VAL GLY LEU TRP LYS SER n/a n/a
4 6CD9 - PRO SER ARG TRP n/a n/a
5 6WZX - ILE GLY LEU TRP LYS SER n/a n/a
6 6CDC Kd = 2.5 uM PRO GLY LEU TRP n/a n/a
7 6CCT - PRO THR LEU VAL 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 1331 families.
1 6CCU Kd = 35.2 uM PRO HIS ARG VAL n/a n/a
2 6CD8 Kd = 19.4 uM PRO SER ARG VAL n/a n/a
3 6CDG Kd = 1.9 uM PRO GLY LEU TRP LYS SER n/a n/a
4 6WZZ - VAL GLY LEU TRP LYS SER n/a n/a
5 6CD9 - PRO SER ARG TRP n/a n/a
6 6WZX - ILE GLY LEU TRP LYS SER n/a n/a
7 6CDC Kd = 2.5 uM PRO GLY LEU TRP n/a n/a
8 6CCT - PRO THR LEU VAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6CCU Kd = 35.2 uM PRO HIS ARG VAL n/a n/a
2 6CD8 Kd = 19.4 uM PRO SER ARG VAL n/a n/a
3 6CDG Kd = 1.9 uM PRO GLY LEU TRP LYS SER n/a n/a
4 6WZZ - VAL GLY LEU TRP LYS SER n/a n/a
5 6CD9 - PRO SER ARG TRP n/a n/a
6 6WZX - ILE GLY LEU TRP LYS SER n/a n/a
7 6CDC Kd = 2.5 uM PRO GLY LEU TRP n/a n/a
8 6CCT - PRO THR LEU VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO GLY LEU TRP LYS SER; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLY LEU TRP LYS SER 1 1
2 PRO GLY LEU TRP 0.743119 1
3 VAL GLY LEU TRP LYS SER 0.630252 0.909091
4 ALA LEU ASP LYS TRP ASP 0.543307 0.927273
5 PRO LEU PAT 0.533333 0.806452
6 ALA LEU ASP LYS TRP ALA SER 0.529851 0.87931
7 GLU LEU ASP LYS TRP ALA GLY 0.529412 0.927273
8 GLU LEU GLU LYS TRP ALA SER 0.529412 0.928571
9 PRO ALA TRP LEU PHE GLU ALA 0.524476 0.981481
10 GLU LEU ASP LYS TRP ALA SER 0.517986 0.87931
11 PCA LYS TRP 0.512195 0.907407
12 GLU LEU ASP LYS TRP ALA ASN 0.503546 0.894737
13 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.493671 0.84127
14 PRO SER ARG TRP 0.492424 0.75
15 LYS TRP LYS 0.491525 0.886792
16 GLU LEU ASP ORN TRP ALA SER 0.478873 0.862069
17 ILE ASP TRP PHE ASP GLY LYS ASP 0.47619 0.894737
18 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.474286 0.706667
19 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.472603 0.822581
20 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.469799 0.864407
21 ALA LEU ASP LYS TRP GLN ASN 0.466165 0.944444
22 GLU ASN ASP LYS TRP ALA SER 0.465278 0.8
23 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.463087 0.962963
24 GLU GLN ASP LYS TRP ALA SER 0.462069 0.844828
25 ILE ASP TRP PHE ASP GLY LYS GLU 0.460526 0.894737
26 ILE ASP TRP PHE GLU GLY LYS GLU 0.460526 0.928571
27 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.460432 0.844828
28 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.46 0.809524
29 PRO GLN PHE SER LEU TRP LYS ARG 0.459459 0.881356
30 ARG LEU TRP SER 0.458647 0.790323
31 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.458333 0.791045
32 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.45679 0.852459
33 ASP GLU ASP LYS TRP ASP ASP PHE 0.455882 0.839286
34 PRO ALA TRP ASP GLU THR ASN LEU 0.454545 0.883333
35 GLU ALA ASP LYS TRP GLN SER 0.445205 0.844828
36 ASP SER TRP LYS ASP GLY CYS TYR 0.445161 0.75
37 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.441379 0.769231
38 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.440994 0.883333
39 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.440252 0.828125
40 GLY SER ASP PRO TRP LYS 0.438356 0.753846
41 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.438272 0.883333
42 LYS TRP 0.435897 0.830189
43 MET LEU ILE TYR SER MET TRP GLY LYS 0.434524 0.791045
44 ALA ALA TRP LEU PHE GLU ALA 0.433566 0.851852
45 ALA TRP LEU PHE GLU ALA 0.431655 0.851852
46 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.427711 0.80303
47 GLU LEU ASP NRG TRP ALA SER 0.426752 0.675676
48 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.420382 0.822581
49 GLY LEU MET TRP LEU SER TYR PHE VAL 0.419355 0.757576
50 ALA PRO ALA TRP LEU PHE GLU ALA 0.41875 0.852459
51 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.417808 0.806452
52 ACE GLU TRP TRP TRP 0.414634 0.781818
53 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.41358 0.84127
54 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.41358 0.868852
55 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.413174 0.825397
56 SER LEU LEU MET TRP ILE THR GLN ALA 0.412903 0.753846
57 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.412791 0.80303
58 GLU LEU ASP HOX TRP ALA SER 0.410596 0.786885
59 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.410596 0.783333
60 PRO LEU SER LYS 0.409836 0.793103
61 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.408805 0.836066
62 GLU LEU ASP HIS TRP ALA SER 0.407895 0.816667
63 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.40678 0.768116
64 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.406061 0.83871
65 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.404494 0.779412
66 ACE TRP ARG VAL PRO 0.40411 0.772727
67 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.403226 0.702703
68 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.4 0.80303
69 PCA GLN TRP 0.4 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLY LEU TRP LYS SER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CDG; Ligand: PRO GLY LEU TRP LYS SER; 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: 6cdg.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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