Receptor
PDB id Resolution Class Description Source Keywords
1R89 1.8 Å EC: 2.7.7.25 CRYSTAL STRUCTURES OF AN ARCHAEAL CLASS I CCA-ADDING ENZYME NUCLEOTIDE COMPLEXES ARCHAEOGLOBUS FULGIDUS CCA ADDING ENZYME INCOMING NUCLEOTIDE NUCLEOTIDYLTRANSFERASUPERFAMILY TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF AN ARCHAEAL CLASS I CCA-ADDIN AND ITS NUCLEOTIDE COMPLEXES MOL.CELL V. 12 1165 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:633;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CTP A:501;
A:502;
Valid;
Valid;
none;
none;
submit data
483.156 C9 H16 N3 O14 P3 C1=CN...
MG A:750;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MN A:600;
A:601;
A:604;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
NA A:603;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R89 1.8 Å EC: 2.7.7.25 CRYSTAL STRUCTURES OF AN ARCHAEAL CLASS I CCA-ADDING ENZYME NUCLEOTIDE COMPLEXES ARCHAEOGLOBUS FULGIDUS CCA ADDING ENZYME INCOMING NUCLEOTIDE NUCLEOTIDYLTRANSFERASUPERFAMILY TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF AN ARCHAEAL CLASS I CCA-ADDIN AND ITS NUCLEOTIDE COMPLEXES MOL.CELL V. 12 1165 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R8B - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1R89 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 1R8C - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R8B - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1R89 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 1R8C - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R8B - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1R89 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 1R8C - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CTP; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 HF4 1 1
2 CTP 1 1
3 CDP 0.895522 1
4 C5P 0.753623 0.985507
5 C 0.753623 0.985507
6 CAR 0.753623 0.985507
7 0RC 0.74026 0.918919
8 7XL 0.74026 0.944444
9 C2G 0.734177 0.957747
10 2TM 0.714286 0.958333
11 C5G 0.702381 0.944444
12 CDM 0.690476 0.894737
13 CDC 0.678571 0.82716
14 CXY 0.674419 0.944444
15 UTP 0.620253 0.942029
16 1AA 0.617021 0.906667
17 U5F 0.6125 0.942029
18 DCP 0.609756 0.90411
19 CTN 0.608696 0.857143
20 AR3 0.608696 0.857143
21 GTF 0.595238 0.90411
22 C C C C 0.58427 0.916667
23 91P 0.582524 0.851852
24 I5A 0.577465 0.816901
25 C C 0.568182 0.929577
26 DCT 0.559524 0.90411
27 UDP 0.54321 0.942029
28 MCN 0.542056 0.819277
29 2AA 0.542056 0.693878
30 C3P 0.538462 0.942857
31 PMT 0.52381 0.85
32 YYY 0.52381 0.90411
33 GCQ 0.523256 0.90411
34 CSQ 0.520408 0.905405
35 CSV 0.520408 0.905405
36 16B 0.518519 0.917808
37 PCD 0.517544 0.781609
38 C2P 0.5 0.957143
39 GPC 0.495575 0.819277
40 FN5 0.495413 0.871795
41 CSF 0.491071 0.871795
42 DKZ 0.481013 0.746667
43 HQ5 0.473684 0.758621
44 8GT 0.473118 0.907895
45 UNP 0.47191 0.915493
46 TKW 0.46988 0.971429
47 H6Y 0.463158 0.855263
48 5HM 0.458824 0.958333
49 G C 0.45614 0.8375
50 YSC 0.455446 0.767442
51 MGT 0.453608 0.829268
52 UDH 0.452632 0.844156
53 UPP 0.452632 0.888889
54 GDU 0.447917 0.888889
55 UPG 0.447917 0.888889
56 UFM 0.447917 0.888889
57 GUD 0.447917 0.888889
58 DC 0.447059 0.890411
59 DCM 0.447059 0.890411
60 A C A C 0.440678 0.835443
61 U2F 0.434343 0.842105
62 UFG 0.434343 0.842105
63 UPF 0.434343 0.842105
64 U5P 0.433735 0.927536
65 U 0.433735 0.927536
66 660 0.43299 0.876712
67 URM 0.43299 0.876712
68 UP5 0.432432 0.857143
69 5GW 0.431579 0.890411
70 UPU 0.430108 0.887324
71 U A C C 0.428571 0.846154
72 PRT 0.424528 0.842105
73 C5P SIA 0.423729 0.893333
74 DOC 0.423529 0.890411
75 G3N 0.421569 0.890411
76 G G G C 0.421488 0.85
77 G8D 0.421053 0.907895
78 UDX 0.42 0.888889
79 UAD 0.42 0.888889
80 A G C C 0.418033 0.848101
81 2KH 0.417582 0.915493
82 3UC 0.417476 0.842105
83 4GW 0.415842 0.866667
84 USQ 0.411765 0.780488
85 UGB 0.411765 0.901408
86 UGA 0.411765 0.901408
87 V12 0.411765 0.75
88 CG2 0.410256 0.873418
89 GEO 0.407407 0.783784
90 G C C C 0.404762 0.860759
91 NVG 0.403846 0.731707
92 44P 0.402299 0.902778
93 8OD 0.402062 0.855263
94 A U C C 0.4 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R89; Ligand: CTP; 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: 1r89.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1R89; Ligand: CTP; 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: 1r89.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1R89; Ligand: CTP; 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: 1r89.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1R89; Ligand: CTP; 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: 1r89.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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