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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 1443 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 1205 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 1039 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: 58
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 ACE PRO ASP PTR GLU ASN LEU 0.484127 0.847222
8 ACE PRO ILE GLN GLU GLU 0.481481 0.772727
9 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.477273 0.697368
10 ARG ALA ILE SEP LEU PRO 0.476636 0.953125
11 ACE GLN GLU ARG GLU VAL PRO CYS 0.475806 0.732394
12 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.472727 0.671429
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 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.464 0.71831
16 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.461538 0.911765
17 ACE MET GLN SER TPO PRO LEU NH2 0.460938 0.873239
18 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.459854 0.849315
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 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.448529 0.712329
22 PRO GLN PTR GLU GLU ILE PRO ILE 0.446043 0.805556
23 PTR VAL PRO MET LEU 0.445312 0.794521
24 PRO GLN PTR GLU PTR ILE PRO ALA 0.442857 0.783784
25 SER GLU CYS THR THR PRO CYS 0.438017 0.779412
26 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.43662 0.69863
27 MET GLN SER TPO PRO LEU 0.43609 0.859155
28 ACE PRO VAL GLN GLU THR NH2 0.434783 0.791045
29 LEU PRO GLU THR GLY 0.429825 0.791045
30 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.429577 0.873239
31 THR PRO TYR ASP ILE ASN GLN MET LEU 0.428571 0.701299
32 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.428571 0.706667
33 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.422535 0.788732
34 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.421053 0.739726
35 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.421053 0.80597
36 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.42069 0.75
37 ARG ARG ALA SEP ALA PRO LEU PRO 0.42029 0.859155
38 ACE ARG THR PRO SEP LEU PRO THR PIP 0.42029 0.802632
39 ALA THR LYS ALA SEP GLN GLU LEU 0.418182 0.761905
40 TYR SEP PRO THR SEP PRO SER 0.417323 0.794521
41 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.417266 0.760563
42 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.416667 0.785714
43 ACE TYR PRO ILE GLN GLU THR 0.414815 0.732394
44 SER MET PRO GLU LEU SER PRO VAL LEU 0.410853 0.763889
45 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.408451 0.794521
46 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.408451 0.847222
47 PRO MET GLN SER TPO PRO LEU 0.407143 0.835616
48 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.407143 0.75
49 SER TYR SER PRO THR SEP PRO SER 0.40678 0.826087
50 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.40625 0.80303
51 THR PRO SEP LEU PRO GLY D4H 0.405594 0.824324
52 ALA VAL PRO ILE ALA GLN 0.403361 0.796875
53 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.402878 0.75
54 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.402597 0.786667
55 ACE PRO GLN GLN ALA THR ASP ASP 0.4 0.779412
56 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.4 0.791667
57 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.4 0.692308
58 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.4 0.702703
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: 37
This union binding pocket(no: 1) in the query (biounit: 3l41.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1DTL BEP None
2 1UO5 PIH None
3 4WG0 CHD None
4 4V1F BQ1 None
5 4RW3 TDA 1.36364
6 2D5X L35 2.05479
7 5CKS GAL 2.27273
8 5XJD 87L 2.72727
9 3GVL SLB 2.72727
10 5X3R 7Y3 2.92683
11 6CB2 OLC 3.18182
12 1MID LAP 3.2967
13 1I1N SAH 3.63636
14 2YFB SIN 3.63636
15 1EM6 NBG 4.09091
16 2BHW NEX 4.09091
17 1VR0 3SL 4.54545
18 1VBO MAN MAN MAN 4.69799
19 2V9M CIT 5
20 4MGA 27L 5
21 4MG9 27K 5
22 5C1M OLC 5
23 3AI3 SOE 5.45455
24 2OWZ CIT 5.45455
25 2HHP FLC 6.36364
26 1JGS SAL 6.52174
27 3N7S 3N7 6.95652
28 1T0S BML 6.97674
29 5W7B MYR 7.27273
30 3KP6 SAL 7.94702
31 1E8G FAD 8.63636
32 3W5N RAM 9.09091
33 4F06 PHB 9.09091
34 5U97 PIT 9.54545
35 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 10.4545
36 5LWY OLB 15.8879
37 3K05 SEP GLN GLU TYR NH2 47.5
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