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...
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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: 23
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 4ONA UW1 27.5253
3 3BZ3 YAM 27.8986
4 4N70 2HX 29.2683
5 3EKK GS2 31.2704
6 2X2M X2M 32.4841
7 5UR1 YY9 32.7974
8 1JPA ANP 33.3333
9 5BVE 4VG 34.903
10 3TKI S25 36.2229
11 4CLI 5P8 36.3914
12 4EWH T77 36.7273
13 2HK5 1BM 38.8889
14 3G5D 1N1 41.2587
15 6E2O S0L 41.6949
16 2BPM 529 43.6893
17 4TWP AXI 43.9114
18 5UPK ANP 44.5087
19 5IH9 6BF 44.7761
20 2XMY CDK 45.302
21 4RFM 3P6 45.4887
22 5N87 N66 47.2843
23 5FBN 5WF 47.6015
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