Receptor
PDB id Resolution Class Description Source Keywords
2GHQ 2.05 Å EC: 3.1.3.16 CTD-SPECIFIC PHOSPHATASE SCP1 IN COMPLEX WITH PEPTIDE 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 B:257;
C:151;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PRO SER TYR SEP PRO THR SEP PRO SER C:171;
D:168;
Valid;
Valid;
none;
none;
submit data
1077.89 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: PRO SER TYR SEP PRO THR SEP PRO SER; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO SER TYR SEP PRO THR SEP PRO SER 1 1
2 N7P THR SEP PRO SER TYR SET 0.760331 0.943662
3 TYR SEP PRO THR SEP PRO SER 0.726496 1
4 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.527778 0.891892
5 SER TYR SER PRO THR SEP PRO SER 0.516129 0.926471
6 SER THR SEP PRO THR PHE ASN LYS 0.503226 0.901408
7 ARG VAL SER PRO SER THR SER TYR THR PRO 0.5 0.828571
8 ARG THR PHE SER PRO THR TYR GLY LEU 0.490446 0.772152
9 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.474026 0.881579
10 ARG SEP PRO VAL PHE SER 0.473684 0.813333
11 PRO THR PRO SER ALA PRO VAL PRO LEU 0.473282 0.791667
12 HIS SER ILE THR TYR LEU LEU PRO VAL 0.471698 0.802632
13 ARG VAL ALA SEP PRO THR SER GLY VAL 0.467105 0.815789
14 PRO GLN PTR GLU GLU ILE PRO ILE 0.467105 0.875
15 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.466667 0.942857
16 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.4625 0.802632
17 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.458599 0.782051
18 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.45679 0.789474
19 PRO SEP LEU PRO DVA 60H 0.455782 0.849315
20 PRO GLN PTR GLU PTR ILE PRO ALA 0.454545 0.851351
21 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.453333 0.760563
22 GLU PRO VAL GLU THR THR ASP TYR 0.452055 0.816901
23 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.451389 0.788732
24 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.45098 0.917808
25 PRO GLN PTR ILE PTR VAL PRO ALA 0.45098 0.84
26 ALA ARG SER HIS SEP TYR PRO ALA 0.448485 0.87013
27 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.447552 0.777778
28 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.446043 0.797101
29 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.444444 0.75
30 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.443709 0.847222
31 LEU PRO SER PHE GLU THR ALA LEU 0.443709 0.791667
32 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.443038 0.75641
33 ASP ILE ALA TYR TYR THR SER GLU PRO 0.439189 0.810811
34 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.437086 0.782051
35 PRO ARG GLY TYR PRO GLY GLN VAL 0.437086 0.777778
36 ACE PRO ALA PRO TYR 0.436508 0.760563
37 SER SER PHE TYR PRO SEP ALA GLU GLY 0.435065 0.915493
38 PRO ALA PRO PHE ALA SER ALA 0.433566 0.8
39 TYR PRO TYR 0.433333 0.742857
40 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.432099 0.833333
41 THR PRO ASP TYR PHE LEU 0.431818 0.675676
42 ALA CYS SEP PRO GLN PHE GLY 0.430464 0.871429
43 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.430303 0.833333
44 VAL PRO LEU ARG PRO MET THR TYR 0.428571 0.7625
45 ARG LEU TYR HIS SEP LEU PRO ALA 0.428571 0.835443
46 GLU ALA ASP PRO THR GLY HIS SER TYR 0.428571 0.824324
47 GLN MET PRO THR GLU ASP GLU TYR 0.426752 0.786667
48 LEU PHE GLY TYR PRO VAL TYR VAL 0.424837 0.743243
49 ACE MET GLN SER SEP PRO LEU NH2 0.424658 0.779221
50 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.424658 0.780822
51 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.424242 0.786667
52 SER SER TYR ARG ARG PRO VAL GLY ILE 0.42236 0.782051
53 GLU GLU ASN ASP PRO ASP TYR 0.422222 0.8
54 TYR TYR SER ILE ILE PRO HIS SER ILE 0.420382 0.802632
55 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.420118 0.740741
56 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.419753 0.808219
57 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.417722 0.743243
58 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.417722 0.794521
59 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.417722 0.743243
60 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.417219 0.783784
61 ASP ILE ASN TYR TYR THR SER GLU PRO 0.416667 0.8
62 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.415663 0.776316
63 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.415094 0.802632
64 SER PRO ILE VAL PRO SER PHE ASP MET 0.4125 0.753247
65 TYR ASP LEU SEP LEU PRO PHE PRO 0.411043 0.891892
66 ILE THR ASP GLN VAL PRO PHE SER VAL 0.409938 0.780822
67 PRO GLY VAL TYR 0.409449 0.690141
68 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.409091 0.808219
69 GLY THR SER SER PRO SER ALA ASP 0.408759 0.771429
70 MET PRO PRO PRO PRO SEP PRO CYS THR 0.408759 0.855072
71 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.408163 0.788732
72 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.407609 0.829268
73 GLY SER TYR LEU VAL THR SER VAL 0.407407 0.638889
74 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.407407 0.723684
75 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.407186 0.802632
76 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.40625 0.74026
77 ASN ASP TRP LEU LEU PRO SER TYR 0.405882 0.792208
78 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.405063 0.777778
79 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.402439 0.821918
80 SER PRO SER PRO SER PRO SER PRO SER PRO 0.401639 0.779412
81 MET TYR TRP TYR PRO TYR 0.401274 0.714286
82 ARG PRO MET THR TYR LYS GLY ALA LEU 0.40113 0.731707
83 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.4 0.77027
84 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.4 0.833333
85 THR PRO PRO SER PRO PHE 0.4 0.852941
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO SER TYR SEP 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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