Receptor
PDB id Resolution Class Description Source Keywords
4DC2 2.4 Å EC: 2.7.11.13 STRUCTURE OF PKC IN COMPLEX WITH A SUBSTRATE PEPTIDE FROM PA MUS MUSCULUS KINASE SUBSTRATE CELL POLARITY PAR-3 ATYPICAL PKC TRANSTRANSFERASE SUBSTRATE COMPLEX
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ATYPICAL PROTEIN CS REVEALED BY THE STRUCTURE OF PKC IOTA IN COMPLEX SUBSTRATE PEPTIDE FROM PAR-3 STRUCTURE V. 20 791 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:601;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DC2 2.4 Å EC: 2.7.11.13 STRUCTURE OF PKC IN COMPLEX WITH A SUBSTRATE PEPTIDE FROM PA MUS MUSCULUS KINASE SUBSTRATE CELL POLARITY PAR-3 ATYPICAL PKC TRANSTRANSFERASE SUBSTRATE COMPLEX
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ATYPICAL PROTEIN CS REVEALED BY THE STRUCTURE OF PKC IOTA IN COMPLEX SUBSTRATE PEPTIDE FROM PAR-3 STRUCTURE V. 20 791 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5LI1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LI1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DC2; Ligand: ADE; Similar sites found with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 4dc2.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZC STU 21.7172
2 4YZC STU 21.7172
3 4XV1 904 26.7123
4 2JLD AG1 27.0202
5 4ONA UW1 27.5253
6 3VRY B43 27.7778
7 4NM5 ADP 27.8515
8 4N70 2HX 29.2683
9 6GCX EUW 29.3478
10 3EKK GS2 31.2704
11 3DLS ADP 31.6418
12 2X2M X2M 32.4841
13 2X2M X2M 32.4841
14 5UR1 YY9 32.7974
15 1JPA ANP 33.3333
16 5BVE 4VG 34.903
17 4Y8D 49J 35.2941
18 3TKI S25 36.2229
19 4CLI 5P8 36.3914
20 4EWH T77 36.7273
21 4EWH T77 36.7273
22 3DAK ANP 38.2759
23 3DAK ANP 38.2759
24 3DAK ANP 38.2759
25 3DAK ANP 38.2759
26 6CMJ F6J 38.3178
27 2HK5 1BM 38.8889
28 3C0G 3AM 40.4558
29 3G5D 1N1 41.2587
30 3G5D 1N1 41.2587
31 6E2O S0L 41.6949
32 6E2O S0L 41.6949
33 2BPM 529 43.6893
34 4TWP AXI 43.9114
35 4TWP AXI 43.9114
36 6GUE FB8 44.3709
37 5UPK ANP 44.5087
38 5IH9 6BF 44.7761
39 2XMY CDK 45.302
40 4RFM 3P6 45.4887
41 5N87 N66 47.2843
42 5FBN 5WF 47.6015
43 5FBN 5WF 47.6015
44 4WNP 3RJ 49.8258
APoc FAQ
Feedback