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
549.474 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 24 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 18 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 (2D)
Ligand no: 1; Ligand: SER TYR SER PRO THR SEP PRO SER; Similar ligands found: 22
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 0.581818 0.926471
3 N7P THR SEP PRO SER TYR SET 0.541667 0.9
4 PRO SER TYR SEP PRO THR SEP PRO SER 0.516129 0.926471
5 ARG VAL ALA SEP PRO THR SER GLY VAL 0.5 0.847222
6 ALA PRO ASP THR ARG PRO ALA PRO 0.491525 0.777778
7 SER THR SEP PRO THR PHE ASN LYS 0.485507 0.911765
8 ARG ARG ALA SEP ALA PRO LEU PRO 0.450382 0.833333
9 ARG SEP PRO VAL PHE SER 0.441176 0.819444
10 ACE ALA SEP PRO 0.438776 0.846154
11 ARG THR PRO SEP LEU PRO THR 49F 0.4375 0.873239
12 ARG THR PRO SEP LEU PRO THR 0.4375 0.873239
13 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.428571 0.924242
14 ASP THR TYR ALA ALA THR PRO ARG 0.422222 0.71875
15 ACE ARG THR PRO SEP LEU PRO THR PIP 0.41791 0.826667
16 ACE MET GLN SER SEP PRO LEU NH2 0.417323 0.833333
17 ASN LYS ASN ALA ASN SEP SER PRO VAL 0.415385 0.911765
18 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.415385 0.753425
19 ARG VAL ALA SER PRO THR SER GLY VAL 0.415385 0.763889
20 SER ARG SEP SER PRO 0.413793 0.867647
21 ARG ARG ARG GLU ARG SER PRO THR ARG 0.412214 0.8
22 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.407692 0.753425
Similar Ligands (3D)
Ligand no: 1; Ligand: SER TYR SER PRO THR SEP PRO SER; 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 : 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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