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(=O)...
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 1610 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 1331 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 1144 families.
1 3L41 - LYS PRO SEP GLN GLU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS PRO SEP GLN GLU LEU; Similar ligands found: 68
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 ACE MET GLN SER SEP PRO LEU NH2 0.52459 0.885714
4 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.516667 0.779412
5 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.491935 0.818182
6 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.490196 0.805195
7 ALA THR PRO PHE GLN GLU 0.487805 0.761194
8 ARG ARG GLN ARG SEP ALA PRO 0.486957 0.953846
9 VAL PRO LEU 0.483871 0.777778
10 ACE PRO ILE GLN GLU GLU 0.481481 0.772727
11 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.477273 0.697368
12 ACE GLN GLU ARG GLU VAL PRO CYS 0.475806 0.732394
13 ALA CYS SEP PRO GLN PHE GLY 0.469697 0.852941
14 THR PRO GLN ASP LEU ASN THR MET LEU 0.465649 0.75
15 ARG ALA ILE SEP LEU PRO 0.462963 0.953125
16 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.461538 0.911765
17 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.459854 0.849315
18 THR PRO SEP LEU PRO DAL 60H 0.453846 0.859155
19 LEU PRO SER PHE GLU THR ALA LEU 0.451852 0.797101
20 ARG THR PRO SEP LEU PRO THR 0.450382 0.821918
21 ARG THR PRO SEP LEU PRO THR 49F 0.450382 0.821918
22 ARG SER ALA SEP GLU PRO SER LEU 0.45 0.861111
23 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.448529 0.712329
24 PRO GLN PTR GLU GLU ILE PRO ILE 0.446043 0.805556
25 PTR VAL PRO MET LEU 0.445312 0.794521
26 PRO GLN PTR GLU PTR ILE PRO ALA 0.442857 0.783784
27 SER GLU CYS THR THR PRO CYS 0.438017 0.779412
28 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.4375 0.671429
29 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.43662 0.69863
30 MET GLN SER TPO PRO LEU 0.43609 0.859155
31 ACE PRO VAL GLN GLU THR NH2 0.434783 0.791045
32 THR PRO TYR ASP ILE ASN GLN MET LEU 0.428571 0.701299
33 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.428571 0.706667
34 PRO HIS THR ASN GLU THR SEP LEU 0.428571 0.780822
35 LEU PRO GLU THR GLY 0.426087 0.791045
36 SER SER ARG THR ARG ARG GLU TPO GLN LEU 0.425926 0.734375
37 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.422535 0.788732
38 SER SER PHE TYR PRO SEP ALA GLU GLY 0.421429 0.819444
39 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.421053 0.739726
40 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.421053 0.80597
41 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.42069 0.75
42 ARG ARG ALA SEP ALA PRO LEU PRO 0.42029 0.859155
43 ACE ARG THR PRO SEP LEU PRO THR PIP 0.42029 0.802632
44 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.42029 0.867647
45 SER HIS SEP SER PRO ALA SER LEU GLN 0.42 0.847222
46 TYR SEP PRO THR SEP PRO SER 0.417323 0.794521
47 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.417266 0.760563
48 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.416667 0.785714
49 TYR ASP LEU SEP LEU PRO PHE PRO 0.414966 0.849315
50 ACE TYR PRO ILE GLN GLU THR 0.414815 0.732394
51 SER MET PRO GLU LEU SER PRO VAL LEU 0.410853 0.763889
52 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.409722 0.873239
53 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.408451 0.847222
54 ASN LYS ASN ALA ASN SEP SER PRO VAL 0.407407 0.884058
55 PRO MET GLN SER TPO PRO LEU 0.407143 0.835616
56 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.406897 0.857143
57 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.40625 0.80303
58 THR PRO SEP LEU PRO GLY D4H 0.405594 0.824324
59 ALA PRO ALA TRP LEU PHE GLU ALA 0.405405 0.732394
60 ARG SER LEU SEP ALA PRO GLY ASN 0.404412 0.873239
61 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.404255 0.794521
62 ALA VAL PRO ILE ALA GLN 0.403361 0.796875
63 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.402878 0.75
64 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.402597 0.786667
65 PRO SEP LEU PRO DVA 60H 0.40146 0.857143
66 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.4 0.702703
67 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.4 0.692308
68 ACE PRO GLN GLN ALA THR ASP ASP 0.4 0.779412
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS PRO SEP GLN GLU LEU; 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 : 3L41; Ligand: LYS PRO SEP GLN GLU LEU; 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: 3l41.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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