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
489.549 n/a O=C([...
View in 3D viewer
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 18 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 17 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 17 families.
1 3SXU - TRP ASP ILE PRO PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP ASP ILE PRO PHE; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP ASP ILE PRO PHE 1 1
2 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 1 1
3 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.709302 0.944444
4 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.58871 0.701299
5 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.585938 0.857143
6 ACE PRO ALA PRO PHE 0.572917 0.813559
7 HIS PRO PHE 0.56 0.783333
8 ALA THR PRO PHE GLN GLU 0.55102 0.877193
9 THR PRO PRO SER PRO PHE 0.548077 0.806452
10 PRO PHQ PHE 0.531915 0.75
11 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.529412 0.683544
12 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.518248 0.84375
13 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.515152 0.964286
14 SER ASP ILE LEU PHE PRO ALA ASP SER 0.512195 0.885246
15 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.51145 0.854839
16 SER PRO ILE VAL PRO SER PHE ASP MET 0.51145 0.80597
17 ALA PHE ARG ILE PRO LEU THR ARG 0.51145 0.779412
18 DPN PRO DAR ILE NH2 0.508929 0.819672
19 ASP PHE 0.506024 0.611111
20 PHE ASN PHE PRO GLN ILE THR 0.504065 0.870968
21 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.503597 0.771429
22 LEU ASN PHE PRO ILE SER PRO 0.5 0.84375
23 GLY SER ASP PRO PHE LYS 0.495652 0.819672
24 DPN PRO ARG 0.495238 0.770492
25 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.492424 0.722222
26 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.480916 0.9
27 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.47619 0.815385
28 ILE THR ASP GLN VAL PRO PHE SER VAL 0.474074 0.870968
29 ALA LEU ASP LEU PHE 0.473118 0.654545
30 ILE MET ASP GLN VAL PRO PHE SER VAL 0.471014 0.830769
31 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.470588 0.864407
32 DPN PRO DAR DTH NH2 0.469565 0.753846
33 LEU PRO PHE ASP LYS THR THR ILE MET 0.467626 0.818182
34 TYR PRO PHE PHE NH2 0.46729 0.770492
35 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.464286 0.794118
36 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.463087 0.692308
37 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.460993 0.782609
38 ALA DAL PRO PHE NIT 0.460177 0.685714
39 ALA VAL PRO ILE 0.458333 0.890909
40 ACE PRO ALA PRO TYR 0.457143 0.761905
41 SER VAL PRO ILE 0.454545 0.85
42 ALA VAL PRO ILE ALA GLN LYS 0.453608 0.854545
43 ALA VAL PRO ILE ALA GLN LYS SER GLU 0.453608 0.854545
44 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.452555 0.779412
45 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.451389 0.80597
46 LEU PRO PHE ASP ARG THR THR ILE MET 0.451389 0.75
47 ALA VAL PRO TRP 0.451327 0.833333
48 LEU PRO SER PHE GLU THR ALA LEU 0.450382 0.854839
49 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.447619 0.927273
50 PHE ASN ARG PRO VAL 0.447154 0.8125
51 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.446043 0.746479
52 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.446043 0.868852
53 ILE PRO ILE 0.445652 0.888889
54 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.445205 0.80597
55 LEU PRO PHE ASP LYS SER THR ILE MET 0.445205 0.80597
56 TYR TYR SER ILE ILE PRO HIS SER ILE 0.444444 0.757143
57 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.444444 0.757143
58 LYS THR PHE PRO PRO THR GLU PRO LYS 0.444444 0.83871
59 TRP GLU TYR ILE PRO ASN VAL 0.444444 0.80597
60 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.444444 0.828125
61 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.443609 0.828125
62 ASP PHE GLU GLU ILE 0.442308 0.740741
63 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.441379 0.84375
64 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.437956 0.8
65 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.437956 0.787879
66 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.437086 0.72973
67 GLU PHE SER PRO 0.435185 0.862069
68 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.434211 0.739726
69 PTR VAL PRO MET LEU 0.432 0.71831
70 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.431818 0.712329
71 DPN PRO DAR CYS NH2 0.431034 0.730159
72 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.430464 0.771429
73 LEU PHE GLY TYR PRO VAL TYR VAL 0.428571 0.825397
74 PHE PRO THR LYS ASP VAL ALA LEU 0.427536 0.854839
75 ALA GLU GLY PHE PRO ALA TPO VAL 0.42735 0.753846
76 SER LEU ILE PRO TPO PRO ASP LYS 0.425373 0.732394
77 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.42446 0.8125
78 PRO GLN PTR GLU GLU ILE PRO ILE 0.423358 0.779412
79 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.422535 0.830769
80 ARG THR PHE SER PRO THR TYR GLY LEU 0.42069 0.726027
81 PRO GLN PTR GLU PTR ILE PRO ALA 0.42029 0.757143
82 MIN 0.419048 0.745763
83 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.418919 0.712329
84 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.41844 0.779412
85 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.41791 0.776119
86 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.417323 0.8125
87 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.417323 0.806452
88 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.417219 0.679487
89 THR PRO TYR ASP ILE ASN GLN MET LEU 0.416667 0.794118
90 ALA PRO ASP THR ARG PRO ALA PRO 0.416 0.724638
91 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.414474 0.712329
92 PHE GLU ASP ASN PHE VAL PRO 0.412698 0.83871
93 ALA VAL PRO ILE ALA GLN 0.412281 0.927273
94 GLN ASN TYR PRO ILE VAL GLN 0.412214 0.870968
95 LEU PRO PHE GLU ARG ALA THR ILE MET 0.411765 0.760563
96 VAL MET ALA PRO ARG THR LEU PHE LEU 0.410959 0.722222
97 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.410072 0.825397
98 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.410072 0.825397
99 SIN ALA ALA PRO PHE NIT 0.409449 0.728571
100 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.409396 0.815385
101 DHI PRO PHE HIS LEU LEU VAL TYR 0.408163 0.772727
102 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.408 0.836066
103 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.407692 0.803279
104 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.406897 0.776119
105 TRP PRO TRP 0.405405 0.783333
106 PRO ALA PRO PHE ALA ALA ALA 0.404959 0.827586
107 ACE GLN PM3 GLU GLU ILE PRO 0.404762 0.854839
108 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.404762 0.822581
109 LEU PRO PHE GLU LYS SER THR VAL MET 0.40411 0.791045
110 ACE PHE PRO PRO PRO PRO THR 0.40367 0.724138
111 MAA LPH PRO PHE 4LZ 0.402878 0.722222
112 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.402878 0.73913
113 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.402778 0.84375
114 PHE PRO ARG 0.401786 0.737705
115 MAA LYS PRO PHE 0.401709 0.842105
116 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.401361 0.794118
117 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.4 0.726027
118 01B PRO PRO ALA NH2 0.4 0.754098
119 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.4 0.857143
120 SIN ALA LEU PRO PHE NIT 0.4 0.71831
121 GLN MET PRO THR GLU ASP GLU TYR 0.4 0.791045
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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