-->
Receptor
PDB id Resolution Class Description Source Keywords
3O2Q 2.4 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF THE HUMAN SYMPLEKIN-SSU72-CTD PHOSPHOPE COMPLEX HOMO SAPIENS HEAT REPEAT SCAFFOLD PHOSPHATASE POLYMERASE II CTD CIS-PHYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE HUMAN SYMPLEKIN-SSU72-CTD PHOSPHOPEPTIDE COMPLEX. NATURE V. 467 729 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 B:195;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
PRO THR SEP PRO SER TYR F:3;
Valid;
none;
submit data
713.658 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O2Q 2.4 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF THE HUMAN SYMPLEKIN-SSU72-CTD PHOSPHOPE COMPLEX HOMO SAPIENS HEAT REPEAT SCAFFOLD PHOSPHATASE POLYMERASE II CTD CIS-PHYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE HUMAN SYMPLEKIN-SSU72-CTD PHOSPHOPEPTIDE COMPLEX. NATURE V. 467 729 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3O2Q - PRO THR SEP PRO SER TYR n/a n/a
2 4H3K - SER TYR SEP PRO THR SEP PRO SEP TYR SER n/a n/a
3 4H3H - SER PRO THR SER PRO SEP TYR SER PRO PRO 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 15 families.
1 3O2Q - PRO THR SEP PRO SER TYR n/a n/a
2 4H3K - SER TYR SEP PRO THR SEP PRO SEP TYR SER n/a n/a
3 4H3H - SER PRO THR SER PRO SEP TYR SER PRO PRO 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 3O2Q - PRO THR SEP PRO SER TYR n/a n/a
2 4H3K - SER TYR SEP PRO THR SEP PRO SEP TYR SER n/a n/a
3 4H3H - SER PRO THR SER PRO SEP TYR SER PRO PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO THR SEP PRO SER TYR; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO THR SEP PRO SER TYR 1 1
2 PRO SER TYR SEP PRO THR SEP PRO SER 0.760331 0.985294
3 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.719008 0.985075
4 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.6875 1
5 TYR SEP PRO THR SEP PRO SER 0.658333 0.985294
6 ARG VAL SER PRO SER THR SER TYR THR PRO 0.65 0.855072
7 N7P THR SEP PRO SER TYR SET 0.640625 0.957143
8 SER TYR SER PRO THR SEP PRO SER 0.516393 0.940298
9 SER THR SEP PRO THR PHE ASN LYS 0.503268 0.914286
10 ARG SEP PRO VAL PHE SER 0.493243 0.824324
11 MET PRO PRO PRO PRO SEP PRO CYS THR 0.472868 0.867647
12 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.472603 0.746479
13 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.465753 0.792208
14 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.462585 0.833333
15 GLY THR SER SER PRO SER ALA ASP 0.461538 0.757143
16 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.461039 0.766234
17 ARG VAL ALA SEP PRO THR SER GLY VAL 0.456954 0.802632
18 PRO TYR ALA GLY SEP TPO ASP GLU ASN 0.452703 0.84507
19 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.451807 0.753247
20 PRO THR PRO SER ALA PRO VAL PRO LEU 0.450382 0.777778
21 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.450331 0.878378
22 LEU SER SER PRO VAL THR LYS SER PHE 0.443709 0.814286
23 PRO ALA PRO PHE ALA SER ALA 0.442857 0.811594
24 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.438272 0.776316
25 SER PRO SER PRO SER PRO SER PRO SER PRO 0.435897 0.791045
26 ALA ARG SER HIS SEP TYR PRO ALA 0.430303 0.881579
27 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.429448 0.819444
28 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.426573 0.788732
29 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.426471 0.880597
30 HIS SER ILE THR TYR LEU LEU PRO VAL 0.425926 0.789474
31 ACE MET GLN SER SEP PRO LEU NH2 0.423611 0.789474
32 PRO MET GLN SER TPO PRO LEU 0.421053 0.84
33 ARG THR PHE SER PRO THR TYR GLY LEU 0.417178 0.759494
34 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.416667 0.780822
35 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.416667 0.802632
36 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.416149 0.769231
37 ARG LEU TYR HIS SEP LEU PRO ALA 0.410714 0.846154
38 ALA CYS SEP PRO GLN PHE GLY 0.410596 0.884058
39 VAL PRO LEU ARG PRO MET THR TYR 0.409938 0.75
40 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.407895 0.794521
41 PRO ARG GLY TYR PRO GLY GLN VAL 0.407895 0.763889
42 PHE SER ALA PTR PRO SER GLU GLU ASP 0.406667 0.956522
43 SER PRO ARG LEU PRO LEU LEU GLU SER 0.404255 0.653333
44 ARG THR PRO SEP LEU PRO THR 0.402685 0.826667
45 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.401361 0.774648
46 VAL PRO TYR SER SER ALA GLN NAG 0.401316 0.802632
47 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.4 0.868421
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O2Q; Ligand: PRO THR SEP PRO SER TYR; Similar sites found with APoc: 41
This union binding pocket(no: 1) in the query (biounit: 3o2q.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5NM7 GLY 3.27103
2 3JU6 ARG 3.27103
3 4KVL PLM 3.73832
4 1U26 IHS 3.73832
5 4TQK NAG 4.20561
6 2JK0 ASP 4.6729
7 2X2T GAL NGA 5.22876
8 4Z87 GDP 5.60748
9 2CNE DFJ 5.60748
10 2Z49 AMG 5.69801
11 4ZQX ATP 5.90717
12 5TQZ GLC 6
13 5OPM DTP 6.26781
14 4USQ FAD 7.00935
15 3A3B RBF 7.36842
16 6BYF CIT 7.64706
17 4HNN LYS 7.80347
18 1PA9 CSN 7.94393
19 1WRA PC 7.94393
20 1OHE ACE ALA SEP PRO 8.33333
21 2E7Z MGD 9.40171
22 6A3J SOE 9.81308
23 2OZ5 7XY 9.81308
24 2Y9G LAT 10
25 2Y9G LBT 10
26 4YEE 4CQ 10
27 1HSR BHO 10.1744
28 4J51 N75 10.2804
29 5HV7 RBL 10.2804
30 1D1Q 4NP 10.559
31 3V0H I3P 10.6195
32 2QX0 PH2 11.3208
33 1X1R GDP 13.4831
34 1KAO GDP 13.7725
35 1ZSQ PIB 14.0187
36 2A9K GDP 14.4385
37 4KYQ FLC 15.8654
38 3DDC GNP 16.5644
39 5KQG 6VX 16.8539
40 3MYZ TFX 17
41 3RGQ 5P5 18.5897
APoc FAQ
Feedback