Receptor
PDB id Resolution Class Description Source Keywords
1BRN 1.76 Å EC: 3.1.27.- SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE- TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION BACILLUS AMYLOLIQUEFACIENS PROTEIN-DNA COMPLEX HYDROLASE/DNA COMPLEX
Ref.: SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76-A RESOLUTION. BIOCHEMISTRY V. 33 1644 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DC DG DA DC A:1;
B:1;
Valid;
Valid;
none;
none;
submit data
945.586 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BRN 1.76 Å EC: 3.1.27.- SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE- TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION BACILLUS AMYLOLIQUEFACIENS PROTEIN-DNA COMPLEX HYDROLASE/DNA COMPLEX
Ref.: SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76-A RESOLUTION. BIOCHEMISTRY V. 33 1644 1994
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1BRN - DC DG DA DC n/a n/a
2 1RNB - DG DC 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 2 families.
1 1BRN - DC DG DA DC n/a n/a
2 1RNB - DG DC n/a n/a
3 1GOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BRN - DC DG DA DC n/a n/a
2 1RNB - DG DC n/a n/a
3 1GOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DC DG DA DC; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 DC DG DA DC 1 1
2 DG DA DC DG 0.832117 0.97561
3 DA DC DG DA 0.826087 0.97561
4 DT DA DC DG 0.789116 0.952381
5 DC DG DT DA 0.783784 0.952381
6 DG DC 0.75188 0.975309
7 DC DG 0.671642 0.963415
8 DG DG 0.560606 0.939024
9 CGP 0.559441 0.939759
10 DA DT DA DA 0.546053 0.870588
11 3PD UM3 0.541667 0.939024
12 CPA 0.520833 0.903614
13 DG DT DC 0.509677 0.918605
14 DU DU DU DU BRU DG DU 0.50625 0.908046
15 DA DU DG DA 0.503401 0.904762
16 DU DU DU DU BRU DA DU 0.496894 0.850575
17 U A G G 0.477124 0.890244
18 G G G RPC 0.473684 0.925926
19 DT MA7 DT 0.466258 0.872093
20 G C 0.454545 0.903614
21 A G C C 0.45283 0.914634
22 A G U 0.452381 0.915663
23 G A A A 0.451613 0.879518
24 U G A 0.449704 0.915663
25 APC G U 0.443038 0.890244
26 DG 0.431818 0.91358
27 DGP 0.431818 0.91358
28 DC DC DT DG 0.431507 0.785714
29 G G G C 0.428571 0.915663
30 U A C C 0.425 0.890244
31 DGI 0.423358 0.902439
32 DCP MG 0.422222 0.819277
33 G C C C 0.415663 0.903614
34 DCM 0.414062 0.839506
35 DC 0.414062 0.839506
36 OMC OMU OMG OMG U 0.413793 0.894118
37 G G 0.408163 0.890244
38 4TA 0.40625 0.882353
39 A U C C 0.403509 0.879518
40 DGT 0.401408 0.902439
41 ADS THS THS THS 0.401235 0.820225
Similar Binding Sites (Proteins are less than 50% similar to leader)
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