Receptor
PDB id Resolution Class Description Source Keywords
3Q8D 2.3 Å NON-ENZYME: OTHER E. COLI RECO COMPLEX WITH SSB C-TERMINUS ESCHERICHIA COLI DNA-BINDING PROTEIN OB-FOLD RECOMBINATION INITATION RECOMINITIATION SSB DNA RECR DNA BINDING PROTEIN
Ref.: MECHANISM OF RECO RECRUITMENT TO DNA BY SINGLE-STRA BINDING PROTEIN. NUCLEIC ACIDS RES. V. 39 6305 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CPS B:600;
Invalid;
none;
submit data
614.877 C32 H58 N2 O7 S C[C@H...
DMR A:700;
Invalid;
none;
submit data
134.087 C4 H6 O5 C([C@...
GOL A:800;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TYR MET ASP PHE ASP ASP ASP ILE PRO PHE E:7;
F:7;
Valid;
Valid;
none;
none;
Kd = 0.34 uM
375.469 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3Q8D 2.3 Å NON-ENZYME: OTHER E. COLI RECO COMPLEX WITH SSB C-TERMINUS ESCHERICHIA COLI DNA-BINDING PROTEIN OB-FOLD RECOMBINATION INITATION RECOMINITIATION SSB DNA RECR DNA BINDING PROTEIN
Ref.: MECHANISM OF RECO RECRUITMENT TO DNA BY SINGLE-STRA BINDING PROTEIN. NUCLEIC ACIDS RES. V. 39 6305 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3Q8D Kd = 0.34 uM TYR MET ASP PHE ASP ASP 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 1068 families.
1 3Q8D Kd = 0.34 uM TYR MET ASP PHE ASP ASP 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 922 families.
1 3Q8D Kd = 0.34 uM TYR MET ASP PHE ASP ASP ASP ILE PRO PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR MET ASP PHE ASP ASP ASP ILE PRO PHE; Similar ligands found: 96
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 1 1
2 TRP ASP ILE PRO PHE 0.701149 0.942308
3 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.701149 0.942308
4 THR PRO PRO SER PRO PHE 0.62766 0.766667
5 ILE PRO ILE 0.605263 0.938776
6 ACE PRO ALA PRO PHE 0.578947 0.854545
7 DPN PRO ARG 0.56044 0.775862
8 TYR PRO TYR 0.546512 0.789474
9 ALA THR PRO PHE GLN GLU 0.538462 0.836364
10 DPN PRO DAR ILE NH2 0.519608 0.79661
11 PHE ASN PHE PRO GLN ILE THR 0.508772 0.790323
12 LEU ASN PHE PRO ILE SER PRO 0.491071 0.765625
13 GLY SER ASP PRO PHE LYS 0.485981 0.75
14 PHE PRO ARG 0.479167 0.741379
15 DPN PRO DAR DTH NH2 0.47619 0.714286
16 ALA DAL PRO PHE NIT 0.47619 0.671642
17 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.475806 0.765625
18 SER ASP ILE LEU PHE PRO ALA ASP SER 0.474576 0.816667
19 TYR PRO PHE PHE NH2 0.47 0.758621
20 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.464567 0.890909
21 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.463415 0.816667
22 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.461538 0.75
23 DPN PRO DAR CYS NH2 0.461538 0.716667
24 PHE ASN ARG PRO VAL 0.459459 0.734375
25 TRP PRO TRP 0.459184 0.803571
26 MIN 0.457447 0.75
27 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.456693 0.676056
28 ILE THR ASP GLN VAL PRO PHE SER VAL 0.449612 0.790323
29 LYS PRO LYS 0.448276 0.86
30 ACE PRO ALA PRO TYR 0.447619 0.79661
31 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.44697 0.790323
32 MAA LYS PRO PHE 0.446602 0.865385
33 N6L 0.442105 0.683333
34 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.44 0.75
35 LEU SER SER PRO VAL THR LYS SER PHE 0.439024 0.786885
36 ALA VAL PRO TRP 0.438095 0.839286
37 AZL 0.436893 0.741935
38 LEU PRO PHE ASP LYS THR THR ILE MET 0.43609 0.765625
39 ILE MET ASP GLN VAL PRO PHE SER VAL 0.43609 0.753846
40 ACE PHE HIS PRO ALA NH2 0.435185 0.775862
41 01B PRO PRO ALA NH2 0.434343 0.758621
42 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.433333 0.807018
43 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.430769 0.731343
44 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.430769 0.816667
45 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.430657 0.720588
46 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.428571 0.816667
47 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.428571 0.761905
48 MDL 0.427273 0.661538
49 LYS THR PHE PRO PRO THR GLU PRO LYS 0.426357 0.783333
50 ASP ARG VAL TYR ILE HIS PRO PHE 0.424658 0.680556
51 GLU PHE SER PRO 0.424242 0.789474
52 ALA VAL PRO ILE 0.422222 0.901961
53 LEU PRO PHE ASP ARG THR THR ILE MET 0.42029 0.680556
54 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.419847 0.662162
55 06P 0.419355 0.741379
56 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.41791 0.676056
57 ALA VAL PRO ILE ALA GLN LYS 0.417582 0.862745
58 MAA LPH PRO PHE 4LZ 0.417323 0.661972
59 THR LYS PRO ARG 0.416667 0.728814
60 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.416058 0.720588
61 PRO ALA PRO PHE ALA ALA ALA 0.415929 0.833333
62 SIN ALA ALA PRO PHE NIT 0.415254 0.691176
63 LEU PRO PHE ASP LYS SER THR ILE MET 0.414286 0.742424
64 98P 0.414141 0.651515
65 PHE SER HIS PRO GLN ASN THR 0.414062 0.686567
66 10P 0.412371 0.716667
67 P97 0.412371 0.640625
68 VAL TYR ILE HIS PRO PHE 0.412214 0.761905
69 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.412214 0.790323
70 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.411765 0.790323
71 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.411348 0.765625
72 PRO ALA PRO PHE PRO ALA NH2 0.411215 0.833333
73 B04 0.410526 0.716667
74 51U 0.410526 0.763636
75 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.410072 0.742424
76 GLY PHE GLU PRO 0.41 0.865385
77 SER SER PHE TYR PRO SEP ALA GLU GLY 0.409449 0.657143
78 LEU PHE GLY TYR PRO VAL TYR VAL 0.409449 0.786885
79 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.408451 0.742424
80 ALA CYS SEP PRO GLN PHE GLY 0.408 0.671642
81 MET TYR TRP TYR PRO TYR 0.408 0.723077
82 22U 0.40625 0.694915
83 PHE PRO THR LYS ASP VAL ALA LEU 0.40625 0.8
84 B03 0.40625 0.719298
85 37U 0.40625 0.694915
86 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.406015 0.705882
87 SIN ALA LEU PRO PHE NIT 0.404959 0.695652
88 P05 0.404255 0.719298
89 02P 0.40404 0.661538
90 0G6 0.403846 0.6875
91 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.40146 0.720588
92 VAL MET ALA PRO ARG THR LEU PHE LEU 0.40146 0.676056
93 DHI PRO PHE HIS LEU LEU VAL TYR 0.401408 0.761905
94 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.4 0.652778
95 GLY PHE ARG PRO 0.4 0.75
96 SER VAL PRO ILE 0.4 0.807018
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback