Receptor
PDB id Resolution Class Description Source Keywords
3L41 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF S. POMBE BRC1 BRCT5-BRCT6 DOMAINS IN COMPLEX WITH PHOSPHORYLATED H2A SCHIZOSACCHAROMYCES POMBE BRC1 BRCT DOMAIN TANDEM BRCT REPEAT PHOSPHOSERINE BINDINGDOMAIN DNA REPAIR CELL DIVISION MITOSIS CELL CYCLE
Ref.: GAMMAH2A BINDS BRC1 TO MAINTAIN GENOME INTEGRITY DURING S-PHASE. EMBO J. V. 29 1136 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS PRO SEP GLN GLU LEU B:127;
Valid;
none;
submit data
720.65 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L41 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF S. POMBE BRC1 BRCT5-BRCT6 DOMAINS IN COMPLEX WITH PHOSPHORYLATED H2A SCHIZOSACCHAROMYCES POMBE BRC1 BRCT DOMAIN TANDEM BRCT REPEAT PHOSPHOSERINE BINDINGDOMAIN DNA REPAIR CELL DIVISION MITOSIS CELL CYCLE
Ref.: GAMMAH2A BINDS BRC1 TO MAINTAIN GENOME INTEGRITY DURING S-PHASE. EMBO J. V. 29 1136 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3L41 - LYS PRO SEP GLN GLU LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3L41 - LYS PRO SEP GLN GLU LEU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3L41 - LYS PRO SEP GLN GLU LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS PRO SEP GLN GLU LEU; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS PRO SEP GLN GLU LEU 1 1
2 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.532787 0.808824
3 ARG ARG GLN ARG SEP ALA PRO 0.508772 0.953846
4 ACE MET GLN SER SEP PRO LEU NH2 0.5 0.885714
5 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.487013 0.805195
6 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.469697 0.706667
7 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.468468 0.671429
8 ARG ALA ILE SEP LEU PRO 0.46789 0.9375
9 ALA CYS SEP PRO GLN PHE GLY 0.466165 0.852941
10 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.464789 0.911765
11 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.463768 0.849315
12 ACE GLN GLU ARG GLU VAL PRO CYS 0.457364 0.732394
13 ARG THR PRO SEP LEU PRO THR 0.454545 0.821918
14 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.452555 0.712329
15 ARG SER ALA SEP GLU PRO SER LEU 0.45 0.861111
16 MET GLN SER TPO PRO LEU 0.44697 0.859155
17 THR PRO GLN ASP LEU ASN THR MET LEU 0.441176 0.75
18 PTR VAL PRO MET LEU 0.438462 0.780822
19 SER GLU CYS THR THR PRO CYS 0.438017 0.764706
20 ACE ARG THR PRO SEP LEU PRO THR PIP 0.437956 0.802632
21 ACE MET GLN SER TPO PRO LEU NH2 0.43609 0.873239
22 LEU PRO GLU THR GLY 0.434783 0.776119
23 SER SER PHE TYR PRO SEP ALA GLU GLY 0.434783 0.805556
24 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.433566 0.684932
25 PRO GLN PTR GLU GLU ILE PRO ILE 0.433566 0.816901
26 ARG ARG ALA SEP ALA PRO LEU PRO 0.430657 0.859155
27 PRO GLN PTR GLU PTR ILE PRO ALA 0.430556 0.794521
28 SER HIS SEP SER PRO ALA SER LEU GLN 0.42953 0.847222
29 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.426573 0.873239
30 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.42446 0.661972
31 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.423611 0.761194
32 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.422535 0.788732
33 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.42 0.706667
34 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.418301 0.739726
35 THR PRO TYR ASP ILE ASN GLN MET LEU 0.417219 0.701299
36 ALA THR LYS ALA SEP GLN GLU LEU 0.414414 0.746032
37 ACE ARG THR PRO SEP LEU PRO THR 60H 0.413333 0.792208
38 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.413043 0.75
39 ALA PRO ALA TRP LEU PHE GLU ALA 0.412162 0.71831
40 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.411392 0.692308
41 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.411348 0.811594
42 ACE TYR PRO ILE GLN GLU THR 0.408759 0.732394
43 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.408451 0.805556
44 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.408163 0.702703
45 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.407407 0.80597
46 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.40625 0.787879
47 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.405229 0.797297
48 ALA VAL PRO ILE ALA GLN 0.403361 0.796875
49 TYR SEP PRO THR SEP PRO SER 0.403101 0.780822
50 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.402778 0.833333
51 SER MET PRO GLU LEU SER PRO VAL LEU 0.40146 0.75
52 PRO MET GLN SER TPO PRO LEU 0.401408 0.835616
53 SER TYR SER PRO THR SEP PRO SER 0.4 0.811594
54 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.4 0.777778
55 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.4 0.813333
56 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L41; Ligand: LYS PRO SEP GLN GLU LEU; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 3l41.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I1N SAH 0.009528 0.41756 3.63636
2 1JGS SAL 0.005361 0.40214 6.52174
3 3KP6 SAL 0.001516 0.46277 7.94702
4 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.000003163 0.57256 10.4545
5 3K05 SEP GLN GLU TYR NH2 0.0000004466 0.56878 47.5
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