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+](...
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 19 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 14 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 12 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 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.693548 0.984848
3 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.687023 1
4 TYR SEP PRO THR SEP PRO SER 0.629032 0.985075
5 ARG VAL SER PRO SER THR SER TYR THR PRO 0.629032 0.852941
6 N7P THR SEP PRO SER TYR SET 0.535714 0.942857
7 SER TYR SER PRO THR SEP PRO SER 0.512 0.939394
8 PRO SER TYR SEP PRO THR SEP PRO SER 0.488189 0.924242
9 SER THR SEP PRO THR PHE ASN LYS 0.480769 0.9
10 ARG SEP PRO VAL PHE SER 0.476821 0.810811
11 MET PRO PRO PRO PRO SEP PRO CYS THR 0.473282 0.865672
12 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.470199 0.779221
13 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.469799 0.742857
14 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.464516 0.753247
15 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.463768 0.852941
16 SER SER PHE TYR PRO SEP ALA GLU GLY 0.46 0.9
17 PRO THR PRO SER ALA PRO VAL PRO LEU 0.459259 0.774648
18 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.454545 0.74026
19 GLY THR SER SER PRO SER ALA ASP 0.451128 0.768116
20 ARG VAL ALA SEP PRO THR SER GLY VAL 0.448052 0.789474
21 PRO ALA PRO PHE ALA SER ALA 0.447552 0.808824
22 SER PRO SER PRO SER PRO SER PRO SER PRO 0.441667 0.787879
23 PRO MET GLN SER TPO PRO LEU 0.437909 0.826667
24 ALA ARG SER HIS SEP TYR PRO ALA 0.436364 0.868421
25 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.434211 0.819444
26 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.432099 0.767123
27 ARG SER ALA SEP GLU PRO SER LEU 0.426752 0.779221
28 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.425806 0.851351
29 PRO ALA PRO PHE PRO ALA NH2 0.425373 0.681159
30 SER HIS SEP SER PRO ALA SER LEU 0.420382 0.861111
31 ACE MET GLN SER SEP PRO LEU NH2 0.418919 0.776316
32 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.418919 0.771429
33 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.418605 0.76
34 PRO ARG GLY TYR PRO GLY GLN VAL 0.415584 0.75
35 ALA CYS SEP PRO GLN PHE GLY 0.411765 0.869565
36 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.411392 0.789474
37 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.409396 0.757143
38 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.408537 0.75641
39 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.408163 0.73913
40 SER PRO ARG LEU PRO LEU LEU GLU SER 0.405594 0.64
41 VAL PRO LEU ARG PRO MET THR TYR 0.404908 0.7375
42 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.403727 0.777778
43 PRO GLN PTR ILE PTR VAL PRO ALA 0.403727 0.8
44 GLN MET PRO THR GLU ASP GLU TYR 0.402516 0.76
45 ARG LEU TYR HIS SEP LEU PRO ALA 0.402367 0.833333
46 PRO GLN PTR GLU PTR ILE PRO ALA 0.401235 0.810811
47 ARG ARG ARG GLU ARG SER PRO THR ARG 0.4 0.743243
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: 25
This union binding pocket(no: 1) in the query (biounit: 3o2q.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JU6 ARG 0.02626 0.40582 3.27103
2 1U26 IHS 0.009001 0.40601 3.73832
3 4TQK NAG 0.02615 0.40119 4.20561
4 2JK0 ASP 0.01085 0.41892 4.6729
5 5TQZ GLC 0.01544 0.41504 6
6 2CJZ PTR 0.0001797 0.51461 6.54206
7 3A3B RBF 0.0194 0.4019 7.36842
8 4HNN LYS 0.02745 0.40007 7.80347
9 1PA9 CSN 0.004445 0.42012 7.94393
10 1WRA PC 0.01859 0.41746 7.94393
11 1OHE ACE ALA SEP PRO 0.001467 0.46331 8.33333
12 2Y9G LAT 0.02951 0.40491 10
13 2Y9G LBT 0.02951 0.40491 10
14 4YEE 4CQ 0.02301 0.40239 10
15 1HSR BHO 0.01698 0.41726 10.1744
16 1D1Q 4NP 0.00001366 0.57802 10.559
17 3V0H I3P 0.0007542 0.47798 10.6195
18 2QX0 PH2 0.02179 0.40956 11.3208
19 1KAO GDP 0.007673 0.40184 13.7725
20 1ZSQ PIB 0.001534 0.43249 14.0187
21 2A9K GDP 0.005601 0.40786 14.4385
22 4KYQ FLC 0.003639 0.41609 15.8654
23 5KQG 6VX 0.0008172 0.46436 16.8539
24 3MYZ TFX 0.02423 0.42568 17
25 3RGQ 5P5 0.00002239 0.56274 18.5897
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