Receptor
PDB id Resolution Class Description Source Keywords
1T15 1.85 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE BRCA1 BRCT DOMAINS IN COMPLEX WITH THE PHOSPHORYLATED INTERACTING REGION FROM BACH1 HELICASE HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX ANTITUMOR PROTEIN
Ref.: STRUCTURE AND MECHANISM OF BRCA1 BRCT DOMAIN RECOGNITION OF PHOSPHORYLATED BACH1 WITH IMPLICATIONS FOR CANCER NAT.STRUCT.MOL.BIOL. V. 11 512 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER THR SEP PRO THR PHE ASN LYS B:6;
Valid;
none;
submit data
944.934 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IFI 2.2 Å EC: 6.3.2.- STRUCTURE OF HUMAN BRCA1 BRCT IN COMPLEX WITH BAAT PEPTIDE HOMO SAPIENS CELL CYCLE DISEASE MUTATION DNA DAMAGE DNA REPAIR FATTY BIOSYNTHESIS LIGASE LIPID SYNTHESIS METAL-BINDING NUCLEPHOSPHOPROTEIN TUMOR SUPPRESSOR UBL CONJUGATION PATHWAY FINGER BRCT DOMAIN DNA DAMAGE RESPONSE PHOSPHO PEPTIDE INTERACTIONS DNA-BINDING PHOSPHO PEPTIDE BINDING TRANSCR
Ref.: STRUCTURAL BASIS FOR THE BRCA1 BRCT INTERACTION WIT PROTEINS ATRIP AND BAAT1. BIOCHEMISTRY V. 52 7618 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 1T15 - SER THR SEP PRO THR PHE ASN LYS n/a n/a
2 4IFI Kd = 3.34 uM ARG SEP PRO VAL PHE SER n/a n/a
3 4IGK Kd = 28.2 uM ALA CYS SEP PRO GLN PHE GLY 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 24 families.
1 1T15 - SER THR SEP PRO THR PHE ASN LYS n/a n/a
2 4IFI Kd = 3.34 uM ARG SEP PRO VAL PHE SER n/a n/a
3 4IGK Kd = 28.2 uM ALA CYS SEP PRO GLN PHE GLY 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 19 families.
1 1T15 - SER THR SEP PRO THR PHE ASN LYS n/a n/a
2 4IFI Kd = 3.34 uM ARG SEP PRO VAL PHE SER n/a n/a
3 4IGK Kd = 28.2 uM ALA CYS SEP PRO GLN PHE GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER THR SEP PRO THR PHE ASN LYS; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 SER THR SEP PRO THR PHE ASN LYS 1 1
2 ARG SEP PRO VAL PHE SER 0.585526 0.849315
3 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.561728 0.794521
4 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.55102 0.9
5 N7P THR SEP PRO SER TYR SET 0.533333 0.902778
6 LYS PRO PHE PTR VAL ASN VAL NH2 0.531646 0.876712
7 TYR SEP PRO THR SEP PRO SER 0.531469 0.901408
8 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.517442 0.8
9 LEU SER SER PRO VAL THR LYS SER PHE 0.515924 0.84058
10 SER TYR SER PRO THR SEP PRO SER 0.507353 0.911765
11 PRO THR SEP PRO SER TYR 0.503268 0.914286
12 PRO SER TYR SEP PRO THR SEP PRO SER 0.503226 0.901408
13 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.5 0.786667
14 GLY SER ASP PRO PHE LYS 0.496552 0.823529
15 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.488764 0.759494
16 ARG THR PHE SER PRO THR TYR GLY LEU 0.485207 0.7375
17 ALA CYS SEP PRO GLN PHE GLY 0.484076 0.911765
18 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.482558 0.864865
19 LYS THR PHE PRO PRO THR GLU PRO LYS 0.481481 0.84058
20 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.475936 0.817073
21 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.473373 0.794521
22 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.47191 0.855263
23 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.468208 0.763158
24 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.467836 0.8
25 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.462963 0.780822
26 ILE THR ASP GLN VAL PRO PHE SER VAL 0.461078 0.816901
27 LEU ASN PHE PRO ILE SER PRO 0.460526 0.819444
28 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.45679 0.914286
29 PHE ASN PHE PRO GLN ILE THR 0.455696 0.791667
30 SER ASP ILE LEU PHE PRO ALA ASP SER 0.45283 0.802817
31 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.452229 0.805556
32 PHE PRO THR LYS ASP VAL ALA LEU 0.449102 0.828571
33 PHE ASN ARG PRO VAL 0.448052 0.743243
34 LEU PRO PHE ASP LYS THR THR ILE MET 0.447674 0.773333
35 LEU PRO PHE ASP LYS SER THR ILE MET 0.446328 0.786667
36 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.44382 0.75
37 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.443114 0.876712
38 1IP CYS PHE SER LYS PRO ARG 0.441176 0.786667
39 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.439759 0.878378
40 ARG VAL ALA SEP PRO THR SER GLY VAL 0.437126 0.851351
41 SER SER CYS PRO LEU SER LYS 0.436242 0.785714
42 ARG PRO MET THR PHE LYS GLY ALA LEU 0.434783 0.725
43 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.432258 0.788732
44 MAA LYS PRO PHE 0.431507 0.735294
45 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.431138 0.901408
46 LEU PRO PHE GLU LYS SER THR VAL MET 0.428571 0.797297
47 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.426316 0.746667
48 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.426136 0.766234
49 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.425926 0.794521
50 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.42487 0.753086
51 ARG VAL SER PRO SER THR SER TYR THR PRO 0.424837 0.802817
52 SER ASP PTR MET ASN MET THR PRO 0.422619 0.868421
53 ARG THR PRO SEP LEU PRO THR 0.42236 0.826667
54 CYS THR PHE LYS THR LYS THR ASN 0.421769 0.695652
55 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.421348 0.710526
56 HIS HIS ALA SER PRO ARG LYS 0.421053 0.733333
57 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.41954 0.808219
58 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.419192 0.707317
59 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.418478 0.75641
60 ALA THR PRO PHE GLN GLU 0.417266 0.791045
61 PHE SER ALA PTR PRO SER GLU GLU ASP 0.417178 0.875
62 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.41573 0.821918
63 LEU PRO SER PHE GLU THR ALA LEU 0.415663 0.828571
64 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.415205 0.802632
65 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.414201 0.90411
66 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.414201 0.763889
67 SER PRO ILE VAL PRO SER PHE ASP MET 0.412791 0.763158
68 ALA PHE ARG ILE PRO LEU THR ARG 0.412791 0.763158
69 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.412429 0.730769
70 ARG ARG ARG GLU ARG SER PRO THR ARG 0.411043 0.780822
71 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.408046 0.757143
72 DPN PRO DAR DTH NH2 0.407895 0.763889
73 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.406977 0.714286
74 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.40625 0.719512
75 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.405714 0.7125
76 SER LEU PHE ASN THR ILE ALA VAL LEU 0.404908 0.628571
77 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.404624 0.816901
78 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.402299 0.763158
79 HIS SER ILE THR TYR LEU LEU PRO VAL 0.402235 0.766234
80 ARG PRO MET THR TYR LYS GLY ALA LEU 0.402116 0.698795
81 PHE LEU SER THR LYS 0.401361 0.666667
82 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.401274 0.788732
83 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.40113 0.769231
84 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.401042 0.654762
85 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.401015 0.7125
86 ASP ILE ASN TYR TYR THR SER GLU PRO 0.4 0.786667
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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