Receptor
PDB id Resolution Class Description Source Keywords
6CDC 1.75 Å NON-ENZYME: OTHER GID4 IN COMPLEX WITH A TETRAPEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC PEBINDING 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:303;
A:306;
C:101;
A:304;
A:305;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
n/a X *
PRO GLY LEU TRP C:1;
 Valid;
 none;
 Kd = 2.5 uM
471.558 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; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLY LEU TRP 1 1
2 PRO GLY LEU TRP LYS SER 0.743119 1
3 PRO LEU PAT 0.592233 0.806452
4 PRO SER ARG TRP 0.552632 0.75
5 PCA ASN TRP 0.504673 0.77193
6 VAL GLY LEU TRP LYS SER 0.5 0.909091
7 PCA GLN TRP 0.5 0.833333
8 PCA LYS TRP 0.495495 0.907407
9 PRO ALA TRP LEU PHE GLU ALA 0.488722 0.981481
10 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.478632 0.854545
11 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.468966 0.883333
12 PRO ALA TRP ASP GLU THR ASN LEU 0.457143 0.883333
13 ALA VAL PRO TRP 0.456897 0.847458
14 ACE GLU TRP TRP TRP 0.45283 0.781818
15 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.452381 0.844828
16 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.452055 0.883333
17 PRO GLN PHE SER LEU TRP LYS ARG 0.451852 0.881356
18 ARG LEU TRP SER 0.45 0.790323
19 TRP PRO TRP 0.4375 0.766667
20 LYS TRP 0.436893 0.830189
21 TRP GLU GLU LEU 0.436364 0.886792
22 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.435374 0.80303
23 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.433566 0.836066
24 PRO GLY VAL TYR 0.431193 0.842105
25 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.422819 0.83871
26 ALA LEU ASP LYS TRP ASP 0.419355 0.927273
27 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.417808 0.822581
28 ARG PHE PRO LEU THR PHE GLY TRP 0.417722 0.746479
29 PRO GLY ALA 0.417582 0.796296
30 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.416667 0.836066
31 0ZN 0.415929 0.781818
32 GLU LEU GLU LYS TRP ALA SER 0.413534 0.928571
33 ALA LEU ASP LYS TRP ALA SER 0.412214 0.87931
34 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.412162 0.828125
35 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.411392 0.8125
36 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.409722 0.822581
37 TYR GLU TRP 0.408696 0.724138
38 THR SER THR THR SER VAL ALA SER SER TRP 0.408 0.75
39 GLU LEU ASP ORN TRP ALA SER 0.407407 0.862069
40 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.40708 0.777778
41 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.405063 0.73913
42 GLU LEU ASP LYS TRP ALA SER 0.404412 0.87931
43 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.404255 0.816667
44 GM6 0.40367 0.640625
45 GLU LEU ASP LYS TRP ALA GLY 0.402985 0.927273
46 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.402685 0.84127
47 ASN ASP TRP LEU LEU PRO SER TYR 0.402597 0.757143
48 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.402597 0.84127
49 ARG TYR PRO LEU THR PHE GLY TRP 0.4 0.726027
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLY LEU TRP; 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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