Receptor
PDB id Resolution Class Description Source Keywords
6CD9 1.55 Å NON-ENZYME: OTHER GID4 IN COMPLEX WITH A PEPTIDE 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:332;
A:339;
A:310;
A:319;
A:312;
A:344;
A:320;
A:338;
A:343;
A:336;
A:342;
A:313;
A:325;
A:345;
A:323;
A:315;
A:327;
A:301;
A:329;
A:308;
A:307;
A:334;
A:303;
A:321;
A:341;
A:316;
A:335;
A:330;
A:318;
A:331;
B:101;
A:305;
A:302;
A:314;
A:322;
A:317;
A:337;
A:328;
A:306;
A:309;
A:311;
A:326;
A:340;
A:324;
A:304;
A:333;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
n/a X *
PRO SER ARG TRP B:1;
 Valid;
 none;
 submit data
545.621 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 SER ARG TRP; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO SER ARG TRP 1 1
2 PRO SER ARG VAL 0.588235 0.83871
3 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.567797 0.904762
4 PRO GLY LEU TRP 0.552632 0.75
5 ACE TRP ARG VAL PRO 0.536 0.782609
6 ARG LEU TRP SER 0.533898 0.857143
7 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.530303 0.863636
8 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.527778 0.808219
9 PCA GLN TRP 0.522523 0.721311
10 PCA LYS TRP 0.517544 0.786885
11 PRO GLN PHE SER LEU TRP LYS ARG 0.514925 0.8
12 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.507692 0.861538
13 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.503876 0.787879
14 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.493243 0.850746
15 PRO GLY LEU TRP LYS SER 0.492424 0.75
16 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.492063 0.83871
17 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.489655 0.850746
18 PRO LEU PAT 0.486957 0.661972
19 PCA ASN TRP 0.486726 0.725806
20 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.484375 0.793651
21 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.474453 0.80303
22 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.469388 0.835821
23 ACE GLU TRP TRP TRP 0.463636 0.650794
24 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.463576 0.814286
25 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.460993 0.791045
26 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.460123 0.797297
27 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.451219 0.786667
28 LYS TRP 0.448598 0.745763
29 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.447853 0.842857
30 PRO SER M3L PHE NLW 0.447154 0.657534
31 PRO ALA TRP ASP GLU THR ASN LEU 0.445205 0.776119
32 TYR GLU TRP 0.444444 0.65625
33 SER ARG TYR TRP ALA ILE ARG THR ARG 0.443709 0.838235
34 PRO ALA TRP LEU PHE GLU ALA 0.443662 0.738462
35 PRO LEU GLU PSA ARG LEU 0.442857 0.830769
36 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.441176 0.786667
37 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.440476 0.766234
38 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.439024 0.777778
39 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.4375 0.777778
40 THR SER THR THR SER VAL ALA SER SER TRP 0.429688 0.734375
41 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.428571 0.760563
42 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.427746 0.75641
43 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.425806 0.826087
44 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.420455 0.75641
45 ARG PHE PRO LEU THR PHE GLY TRP 0.417178 0.805556
46 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.417143 0.783784
47 GLU LEU ASP NRG TRP ALA SER 0.416107 0.733333
48 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.415663 0.782609
49 MET TRP ARG PRO TRP 0.414966 0.722222
50 ASP GLU ASP LYS TRP ASP ASP PHE 0.412214 0.758065
51 TRP PRO TRP 0.411765 0.69697
52 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.411392 0.848485
53 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.409396 0.8
54 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.409396 0.8
55 ALA VAL PRO TRP 0.408 0.691176
56 GLY SER ASP PRO TRP LYS 0.407143 0.791045
57 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.406452 0.736111
58 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.402597 0.732394
59 ASN ASP TRP LEU LEU PRO SER TYR 0.402516 0.697368
60 ALA LEU ASP LYS TRP ALA SER 0.40146 0.769231
61 ILE SER PRO ARG THR LEU ASP ALA TRP 0.4 0.808219
62 ARG TYR PRO LEU THR PHE GLY TRP 0.4 0.783784
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO SER ARG 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
APoc FAQ
Feedback