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...
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
374.461 n/a O=C([...
MLT A:700;
Invalid;
none;
submit data
134.087 C4 H6 O5 C([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 1610 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 1331 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 1144 families.
1 3Q8D Kd = 0.34 uM TYR MET ASP PHE ASP ASP ASP ILE PRO PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR MET ASP PHE ASP ASP ASP ILE PRO PHE; Similar ligands found: 83
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 0.689655 0.944444
3 ACE PRO ALA PRO PHE 0.654762 0.857143
4 HIS PRO PHE 0.6 0.824561
5 PRO PHQ PHE 0.590361 0.789474
6 THR PRO PRO SER PRO PHE 0.585106 0.786885
7 TYR PRO TYR 0.534884 0.810345
8 DPN PRO ARG 0.526316 0.810345
9 ACE PRO ALA PRO TYR 0.5 0.8
10 ALA THR PRO PHE GLN GLU 0.473214 0.859649
11 ASP LEU PRO PHE 0.470588 0.909091
12 GLY SER ASP PRO PHE LYS 0.46789 0.770492
13 DPN PRO DAR ILE NH2 0.46729 0.830508
14 PHE ASN PHE PRO GLN ILE THR 0.466102 0.822581
15 TYR PRO PHE PHE NH2 0.464646 0.779661
16 LEU ASN PHE PRO ILE SER PRO 0.460177 0.796875
17 MIN 0.457447 0.785714
18 ALA DAL PRO PHE NIT 0.457143 0.691176
19 ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 0.452632 0.803571
20 PRO ALA PRO PHE PRO ALA NH2 0.44898 0.821429
21 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.446154 0.910714
22 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.445312 0.704225
23 ACE ALA GLU GLY PHE PRO ALA TPO VAL 0.444444 0.765625
24 10P 0.442105 0.75
25 ILE PRO ILE 0.440476 0.941176
26 DPN PRO DAR DTH NH2 0.440367 0.734375
27 DPN PRO DAR CYS NH2 0.439252 0.737705
28 PRO ALA PRO PHE ALA ALA ALA 0.436364 0.839286
29 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.43609 0.809524
30 06P 0.434783 0.775862
31 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.434109 0.796875
32 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.433071 0.85
33 01B PRO PRO ALA NH2 0.43299 0.783333
34 VAL PRO LEU 0.428571 0.923077
35 SIN ALA LEU PRO PHE NIT 0.428571 0.7
36 SIN ALA ALA PRO PHE NIT 0.42735 0.710145
37 MDL 0.427273 0.666667
38 N6L 0.427083 0.716667
39 TRP PRO TRP 0.425743 0.824561
40 51U 0.425532 0.8
41 B04 0.425532 0.75
42 AZL 0.423077 0.774194
43 44U 0.422222 0.851852
44 PHE PRO ARG 0.421569 0.775862
45 37U 0.421053 0.728814
46 J5K 0.421053 0.68254
47 GLU GLU ASN ASP PRO ASP TYR 0.420561 0.758065
48 MAA LYS PRO PHE 0.420561 0.854545
49 SER PRO ILE VAL PRO SER PHE ASP MET 0.419847 0.761194
50 ALA PHE ARG ILE PRO LEU THR ARG 0.419847 0.761194
51 P05 0.419355 0.754386
52 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.419118 0.75
53 PHE ASN ARG PRO VAL 0.418803 0.765625
54 MAA LPH PRO PHE 4LZ 0.418605 0.680556
55 ILE THR ASP GLN VAL PRO PHE SER VAL 0.416667 0.822581
56 GOZ 0.414894 0.671875
57 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.414634 0.769231
58 98P 0.414141 0.681818
59 LEU PRO SER PHE GLU THR ALA LEU 0.412698 0.806452
60 P97 0.412371 0.671875
61 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.410853 0.746269
62 99P 0.410526 0.741379
63 PRO ALA PRO PHE ALA SER ALA 0.410256 0.786885
64 ACE PHE PRO PRO PRO PRO THR 0.41 0.763636
65 ACE PHE HIS PRO ALA NH2 0.409091 0.79661
66 ALA VAL PRO TRP 0.407407 0.844828
67 BOC HIS PRO PHE HIS LOV ILE HIS 0.407143 0.735294
68 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.40625 0.78125
69 D0L 0.40625 0.842105
70 B03 0.40625 0.754386
71 22U 0.40625 0.728814
72 32U 0.40625 0.745763
73 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.406015 0.761194
74 ILE MET ASP GLN VAL PRO PHE SER VAL 0.404412 0.784615
75 02P 0.40404 0.692308
76 0G6 0.403846 0.71875
77 J3I 0.402062 0.68254
78 GLU PHE SER PRO 0.401961 0.810345
79 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.401575 0.806452
80 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.401515 0.662338
81 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.401515 0.809524
82 LEU PRO PHE ASP LYS THR THR ILE MET 0.40146 0.772727
83 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.4 0.836066
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR MET ASP PHE ASP ASP 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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