Receptor
PDB id Resolution Class Description Source Keywords
6YWN 1.45 Å NON-ENZYME: OTHER CUTA IN COMPLEX WITH CMPCPP THERMOTHIELAVIOIDES TERRESTRIS NRRL 81ORGANISM_TAXID: 578455 TERMINAL NUCLEOTIDE TRANSFERASE POLYMERASE RNA-BINDING PROBINDING PROTEIN
Ref.: STRUCTURE AND MECHANISM OF CUTA, RNA NUCLEOTIDYL TR WITH AN UNUSUAL PREFERENCE FOR CYTOSINE. NUCLEIC ACIDS RES. V. 48 9387 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2TM A:702;
 Valid;
 none;
 submit data
481.184 C10 H18 N3 O13 P3 C1=CN...
CA A:701;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6YWN 1.45 Å NON-ENZYME: OTHER CUTA IN COMPLEX WITH CMPCPP THERMOTHIELAVIOIDES TERRESTRIS NRRL 81ORGANISM_TAXID: 578455 TERMINAL NUCLEOTIDE TRANSFERASE POLYMERASE RNA-BINDING PROBINDING PROTEIN
Ref.: STRUCTURE AND MECHANISM OF CUTA, RNA NUCLEOTIDYL TR WITH AN UNUSUAL PREFERENCE FOR CYTOSINE. NUCLEIC ACIDS RES. V. 48 9387 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6YWO - A A A n/a n/a
2 6YWN - 2TM C10 H18 N3 O13 P3 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6YWO - A A A n/a n/a
2 6YWN - 2TM C10 H18 N3 O13 P3 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6YWO - A A A n/a n/a
2 6YWN - 2TM C10 H18 N3 O13 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2TM; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 2TM 1 1
2 CDP 0.743243 0.958333
3 C5P 0.732394 0.944444
4 CAR 0.732394 0.944444
5 C 0.732394 0.944444
6 CTP 0.714286 0.958333
7 HF4 0.714286 0.958333
8 7XL 0.658537 0.932432
9 0RC 0.658537 0.907895
10 CDP MG 0.653846 0.90411
11 C2G 0.616279 0.945205
12 C5G 0.593407 0.906667
13 AR3 0.591549 0.821918
14 CTN 0.591549 0.821918
15 CDC 0.588889 0.797619
16 CXY 0.586957 0.932432
17 CDM 0.582418 0.909091
18 I5A 0.540541 0.783784
19 CDP RB0 0.53125 0.906667
20 CSV 0.525253 0.87013
21 CSQ 0.525253 0.87013
22 C3P 0.525 0.90411
23 1AA 0.524752 0.871795
24 A7R 0.514563 0.894737
25 16B 0.506024 0.881579
26 44P 0.493976 0.944444
27 C2P 0.487805 0.917808
28 91P 0.486486 0.821429
29 PMT 0.486239 0.841463
30 FZQ 0.483871 0.790698
31 MCN 0.477876 0.790698
32 DKZ 0.469136 0.717949
33 2AA 0.464912 0.69
34 HQ5 0.463918 0.752809
35 UDP 0.45977 0.902778
36 G G 6MZ C 0.452174 0.785714
37 GPC 0.449153 0.790698
38 5HM 0.448276 0.92
39 G C 0.448276 0.807229
40 FN5 0.447368 0.8625
41 YSC 0.446602 0.761364
42 PCD 0.446281 0.755556
43 UTP 0.444444 0.902778
44 YYY 0.444444 0.918919
45 CSF 0.444444 0.8625
46 TKW 0.44186 0.931507
47 DCP 0.44086 0.918919
48 U 0.440476 0.888889
49 U5P 0.440476 0.888889
50 U5F 0.43956 0.902778
51 DC 0.436782 0.905405
52 DCM 0.436782 0.905405
53 NCC 0.435897 0.907895
54 GTF 0.431579 0.868421
55 GCQ 0.430108 0.868421
56 2KH 0.423913 0.878378
57 0KX 0.421053 0.894737
58 C5P SIA 0.416667 0.883117
59 UNP 0.414894 0.878378
60 UPU 0.40625 0.851351
61 Y6W 0.405941 0.857143
62 APC 0.402062 0.835443
63 DCT 0.4 0.893333
Similar Ligands (3D)
Ligand no: 1; Ligand: 2TM; Similar ligands found: 8
No: Ligand Similarity coefficient
1 DUT 0.8920
2 ANP 0.8903
3 ATP 0.8819
4 DUP 0.8798
5 3AT 0.8794
6 GTP 0.8697
7 TAT 0.8635
8 GH3 0.8618
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6YWN; Ligand: 2TM; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 6ywn.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4NKT 2KH 38.4164
2 5W0N 2KH 41.5978
3 5W0N 2KH 41.5978
4 5W0N 2KH 41.5978
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