Receptor
PDB id Resolution Class Description Source Keywords
3SXU 1.85 Å EC: 2.7.7.7 STRUCTURE OF THE E. COLI SSB-DNA POLYMERASE III INTERFACE ESCHERICHIA COLI DNA REPLICATION CHI BINDS TO SSB AND PSI TRANSFERASE
Ref.: STRUCTURE OF THE SSB-DNA POLYMERASE III INTERFACE A ROLE IN DNA REPLICATION. EMBO J. V. 30 4236 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP ASP ILE PRO PHE C:174;
Valid;
none;
submit data
488.541 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SXU 1.85 Å EC: 2.7.7.7 STRUCTURE OF THE E. COLI SSB-DNA POLYMERASE III INTERFACE ESCHERICHIA COLI DNA REPLICATION CHI BINDS TO SSB AND PSI TRANSFERASE
Ref.: STRUCTURE OF THE SSB-DNA POLYMERASE III INTERFACE A ROLE IN DNA REPLICATION. EMBO J. V. 30 4236 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3SXU - TRP ASP ILE PRO PHE 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 20 families.
1 3SXU - TRP ASP ILE PRO PHE 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 20 families.
1 3SXU - TRP ASP ILE PRO PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TRP ASP ILE PRO PHE; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP ASP ILE PRO PHE 1 1
2 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.689655 0.944444
3 ACE PRO ALA PRO PHE 0.578947 0.813559
4 PRO PHQ PHE 0.537634 0.75
5 HIS PRO PHE 0.534653 0.783333
6 THR PRO PRO SER PRO PHE 0.52381 0.806452
7 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.512 0.854839
8 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.507692 0.701299
9 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.507463 0.857143
10 GLY SER ASP PRO PHE LYS 0.5 0.819672
11 ALA PHE ARG ILE PRO LEU THR ARG 0.492424 0.779412
12 ALA THR PRO PHE GLN GLU 0.491525 0.912281
13 TYR PRO TYR 0.489583 0.770492
14 DPN PRO DAR ILE NH2 0.486726 0.819672
15 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.485075 0.964286
16 GLU GLU ASN ASP PRO ASP TYR 0.481818 0.806452
17 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.481481 0.885246
18 SER PRO ILE VAL PRO SER PHE ASP MET 0.481203 0.80597
19 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.481203 0.854839
20 ALA LEU ASP LEU PHE 0.478261 0.654545
21 ASP LEU PRO PHE 0.477064 0.963636
22 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.473684 0.722222
23 PHE ASN PHE PRO GLN ILE THR 0.472 0.870968
24 DPN PRO ARG 0.471698 0.770492
25 LEU ASN PHE PRO ILE SER PRO 0.466667 0.84375
26 ACE PRO ALA PRO TYR 0.461538 0.761905
27 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.457746 0.683544
28 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.457627 0.864407
29 ILE THR ASP GLN VAL PRO PHE SER VAL 0.455882 0.870968
30 ACE ALA GLU GLY PHE PRO ALA TPO VAL 0.452174 0.784615
31 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.451128 0.9
32 DPN PRO DAR DTH NH2 0.448276 0.753846
33 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.447552 0.84375
34 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.446809 0.794118
35 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.445312 0.815385
36 TYR PRO PHE PHE NH2 0.444444 0.770492
37 ILE MET ASP GLN VAL PRO PHE SER VAL 0.442857 0.830769
38 ALA VAL PRO TRP 0.442478 0.833333
39 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.442308 0.927273
40 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.441176 0.757143
41 LEU PRO PHE ASP LYS THR THR ILE MET 0.439716 0.818182
42 ALA DAL PRO PHE NIT 0.438596 0.685714
43 MIN 0.436893 0.745763
44 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.434483 0.771429
45 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.434483 0.80597
46 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.433566 0.782609
47 ALA VAL PRO ILE 0.43299 0.890909
48 LEU PRO SER PHE GLU THR ALA LEU 0.431818 0.854839
49 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.42963 0.791045
50 TRP GLU TYR ILE PRO ASN VAL 0.427586 0.80597
51 PRO GLN PTR GLU GLU ILE PRO ILE 0.426471 0.779412
52 LEU PRO PHE ASP ARG THR THR ILE MET 0.424658 0.75
53 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.42446 0.779412
54 PRO GLN PTR GLU PTR ILE PRO ALA 0.423358 0.757143
55 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.42029 0.8
56 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.42029 0.787879
57 PRO ALA PRO PHE ALA ALA ALA 0.420168 0.827586
58 ACE GLN PM3 GLU GLU ILE PRO 0.419355 0.854839
59 ILE PRO ILE 0.419355 0.888889
60 LEU PRO PHE ASP LYS SER THR ILE MET 0.418919 0.80597
61 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.418919 0.80597
62 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.417808 0.828125
63 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.417323 0.806452
64 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.417266 0.8125
65 LYS THR PHE PRO PRO THR GLU PRO LYS 0.416058 0.83871
66 TYR TYR SER ILE ILE PRO HIS SER ILE 0.416058 0.757143
67 PHE ASN ARG PRO VAL 0.416 0.8125
68 SER VAL PRO ILE 0.415842 0.85
69 06P 0.415842 0.737705
70 01B PRO PRO ALA NH2 0.415094 0.803279
71 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.414966 0.84375
72 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.414815 0.828125
73 SIN ALA ALA PRO PHE NIT 0.412698 0.728571
74 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.411765 0.72973
75 DPN PRO DAR CYS NH2 0.410256 0.730159
76 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.410072 0.73913
77 PHE PRO THR LYS ASP VAL ALA LEU 0.410072 0.854839
78 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.409449 0.8125
79 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.408451 0.746479
80 ALA VAL PRO ILE ALA GLN LYS 0.407767 0.854545
81 51U 0.407767 0.758621
82 MAA LPH PRO PHE 4LZ 0.405797 0.722222
83 ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 0.40566 0.762712
84 BOC HIS PRO PHE HIS LOV ILE HIS 0.405405 0.753623
85 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.405229 0.771429
86 37U 0.403846 0.693548
87 389 0.403846 0.793103
88 22U 0.403846 0.693548
89 PRO ALA PRO PHE PRO ALA NH2 0.40367 0.810345
90 SIN ALA LEU PRO PHE NIT 0.403101 0.71831
91 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.402985 0.712329
92 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.402685 0.712329
93 SER SER PHE TYR PRO SEP ALA GLU GLY 0.40146 0.71831
94 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.4 0.692308
95 LEU PHE GLY TYR PRO VAL TYR VAL 0.4 0.825397
96 GLU PHE SER PRO 0.4 0.862069
97 ALA PRO ASP THR ARG PRO ALA PRO 0.4 0.724638
Similar Ligands (3D)
Ligand no: 1; Ligand: TRP ASP ILE PRO PHE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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