Receptor
PDB id Resolution Class Description Source Keywords
6A4D 2.19 Å EC: 3.1.-.- PNP-TMP BOUND OLIGORIBONUCLEASE (ORN) FROM COLWELLIA PSYCHRE STRAIN 34H COLWELLIA PSYCHRERYTHRAEA (STRAIN 34H BAA-681) OLIGORIBONUCLEASE EXONUCLEASE COLWELLIA PSYCHRERYTHRAEA STHYDROLASE
Ref.: STRUCTURAL BASIS OF SMALL RNA HYDROLYSIS BY OLIGORIBONUCLEASE (CPSORN) FROM COLWELLIA PSYCHRERY STRAIN 34H. SCI REP V. 9 2649 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9RC B:201;
B:202;
A:201;
A:202;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
443.302 C16 H18 N3 O10 P CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A4D 2.19 Å EC: 3.1.-.- PNP-TMP BOUND OLIGORIBONUCLEASE (ORN) FROM COLWELLIA PSYCHRE STRAIN 34H COLWELLIA PSYCHRERYTHRAEA (STRAIN 34H BAA-681) OLIGORIBONUCLEASE EXONUCLEASE COLWELLIA PSYCHRERYTHRAEA STHYDROLASE
Ref.: STRUCTURAL BASIS OF SMALL RNA HYDROLYSIS BY OLIGORIBONUCLEASE (CPSORN) FROM COLWELLIA PSYCHRERY STRAIN 34H. SCI REP V. 9 2649 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6A4F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
2 6A4D - 9RC C16 H18 N3 O10 P CC1=CN(C(=....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 6N6E - G A n/a n/a
2 6N6D - A G n/a n/a
3 6N6A - G G n/a n/a
4 6N6G - C G n/a n/a
5 6N6C - A A n/a n/a
6 6N6H - C U n/a n/a
7 6N6F - G C n/a n/a
8 6A4F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 6A4D - 9RC C16 H18 N3 O10 P CC1=CN(C(=....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 6N6E - G A n/a n/a
2 6N6D - A G n/a n/a
3 6N6A - G G n/a n/a
4 6N6G - C G n/a n/a
5 6N6C - A A n/a n/a
6 6N6H - C U n/a n/a
7 6N6F - G C n/a n/a
8 6N6K - A G n/a n/a
9 6N6I - G G n/a n/a
10 6N6J - A A n/a n/a
11 6A4F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
12 6A4D - 9RC C16 H18 N3 O10 P CC1=CN(C(=....
13 6RCL - A A n/a n/a
14 6RCN - DA DA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9RC; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 9RC 1 1
2 TYD 0.686747 0.829268
3 TMP 0.646341 0.839506
4 TLO 0.645161 0.876543
5 TTP 0.636364 0.829268
6 TDX 0.585859 0.831325
7 TRH 0.585859 0.821429
8 1JB 0.585859 0.821429
9 18T 0.585859 0.821429
10 TTP MG 0.576087 0.85
11 T3F 0.574257 0.802326
12 T3Q 0.574257 0.802326
13 3R2 0.57 0.811765
14 DAU 0.564356 0.821429
15 MMF 0.563107 0.802326
16 DWN 0.558824 0.802326
17 3YN 0.558824 0.821429
18 T46 0.553398 0.821429
19 0N2 0.553398 0.793103
20 QDM 0.552381 0.793103
21 0FX 0.548077 0.802326
22 1YF 0.54717 0.811765
23 FNF 0.54717 0.811765
24 TBD 0.543478 0.821429
25 4TG 0.542056 0.811765
26 WMJ 0.535354 0.858824
27 JHZ 0.53271 0.784091
28 AKM 0.53271 0.766667
29 THM 0.512195 0.743902
30 LLT 0.512195 0.743902
31 FUH 0.508772 0.802326
32 QUH 0.508772 0.802326
33 0DN 0.5 0.731707
34 ATY 0.489796 0.788235
35 UFP 0.488889 0.776471
36 3DR DT DT DT DT DT 0.486486 0.841463
37 T5A 0.478992 0.788889
38 DT ME6 DT 0.478632 0.833333
39 FDM 0.478261 0.788235
40 TPE 0.476636 0.833333
41 THP 0.473118 0.82716
42 T3P 0.47191 0.804878
43 5HU 0.467391 0.807229
44 BRU 0.467391 0.776471
45 AZD 0.465347 0.845238
46 5IU 0.462366 0.776471
47 NYM 0.462366 0.819277
48 TXS 0.456522 0.697674
49 7SG 0.450382 0.808989
50 TQP 0.450382 0.808989
51 ATM 0.44898 0.855422
52 T3S 0.446809 0.717647
53 2JW 0.443396 0.903614
54 BVP 0.434343 0.807229
55 4TA 0.432 0.797753
56 T4K 0.425373 0.8
57 T5K 0.425373 0.8
58 DUD 0.42268 0.792683
59 ADS THS THS THS 0.418605 0.752688
60 AZZ 0.4 0.771084
61 ABT 0.4 0.825581
Similar Ligands (3D)
Ligand no: 1; Ligand: 9RC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A4D; Ligand: 9RC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6a4d.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6A4D; Ligand: 9RC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6a4d.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6A4D; Ligand: 9RC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6a4d.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6A4D; Ligand: 9RC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6a4d.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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