Receptor
PDB id Resolution Class Description Source Keywords
2GHT 1.8 Å EC: 3.1.3.16 CTD-SPECIFIC PHOSPHATASE SCP1 IN COMPLEX WITH PEPTIDE FROM C-TERMINAL DOMAIN OF RNA POLYMERASE II HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX HAD SUPERFAMILY HYDROLASE
Ref.: DETERMINANTS FOR DEPHOSPHORYLATION OF THE RNA POLYMERASE II C-TERMINAL DOMAIN BY SCP1. MOL.CELL V. 24 759 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:257;
B:257;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SER TYR SER PRO THR SEP PRO SER C:171;
D:169;
Valid;
Valid;
none;
none;
submit data
550.482 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PGL 2.35 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF HUMAN SMALL C-TERMINAL DOMAIN PHOSPHATA (SCP1) BOUND TO RABEPRAZOLE HOMO SAPIENS HAD FAMILY INSERTION DOMAIN CTD PHOSPHATASE NEURONAL SILEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: SELECTIVE INACTIVATION OF A HUMAN NEURONAL SILENCIN PHOSPHATASE BY A SMALL MOLECULE INHIBITOR. ACS CHEM.BIOL. V. 6 511 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER TYR SER PRO THR SEP PRO SER; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 SER TYR SER PRO THR SEP PRO SER 1 1
2 TYR SEP PRO THR SEP PRO SER 0.641509 0.926471
3 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.577586 0.925373
4 N7P THR SEP PRO SER TYR SET 0.541667 0.9
5 PRO SER TYR SEP PRO THR SEP PRO SER 0.528455 0.926471
6 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.528 0.940298
7 PRO THR SEP PRO SER TYR 0.516393 0.940298
8 SER THR SEP PRO THR PHE ASN LYS 0.507353 0.911765
9 ARG VAL ALA SEP PRO THR SER GLY VAL 0.5 0.847222
10 ALA PRO ASP THR ARG PRO 0.491379 0.777778
11 ALA PRO ASP THR ARG PRO ALA PRO 0.475 0.777778
12 ARG ARG ALA SEP ALA PRO LEU PRO 0.461538 0.833333
13 SER THR CYS PRO ALA ALA 0.451923 0.830769
14 ARG SEP PRO VAL PHE SER 0.451852 0.819444
15 ARG THR PRO SEP LEU PRO THR 0.448819 0.873239
16 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.441176 0.847222
17 ACE ALA SEP PRO 0.438776 0.846154
18 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.432203 0.820895
19 ACE MET GLN SER SEP PRO LEU NH2 0.428571 0.833333
20 ARG ARG ARG GLU ARG SER PRO THR ARG 0.423077 0.8
21 ASP THR TYR ALA ALA THR PRO ARG 0.422222 0.734375
22 ASP SER THR THR PRO ALA PRO THR NGA 0.415493 0.780822
23 ARG VAL ALA SER PRO THR SER GLY VAL 0.415385 0.763889
24 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.412214 0.753425
25 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.410853 0.753425
26 ACE ARG THR PRO SEP LEU PRO THR PIP 0.407407 0.826667
27 LYS PRO SEP GLN GLU LEU 0.40678 0.826087
28 ALA PRO THR 0.406593 0.712121
29 ARG VAL SER PRO SER THR SER TYR THR PRO 0.406504 0.797101
30 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.404959 0.75
31 ALA CYS SEP PRO GLN PHE GLY 0.402985 0.880597
32 ILE PRO ILE 0.4 0.656716
33 SER GLU CYS THR THR PRO CYS 0.4 0.80597
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PGL; Ligand: RZX; 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: 3pgl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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