Receptor
PDB id Resolution Class Description Source Keywords
1TZF 2.1 Å EC: 2.7.7.33 X-RAY CRYSTAL STRUCTURE OF ALPHA-D-GLUCOSE-1-PHOSPHATE CYTIDYLYLTRANSFERASE FROM SALMONELLA TYPHI SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHI NUCLEOTIDYLTRANSFERASE; MIXED ALPHA/BETA FOLD TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF ALPHA-D-GLUCOSE-1-PHOSPHATE CYTIDYLYLTRANSFERASE FROM SALMONELLA TYPHI J.BIOL.CHEM. V. 279 44023 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C5G A:401;
Valid;
none;
submit data
565.317 C15 H25 N3 O16 P2 C1=CN...
MG A:403;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WVC 2.5 Å EC: 2.7.7.33 ALPHA-D-GLUCOSE-1-PHOSPHATE CYTIDYLYLTRANSFERASE COMPLEXED W SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHI CDP-GLUCOSE PYROPHOSPHORYLASE NUCLEOTIDYLTRANSFERASE TRANS
Ref.: KINETIC AND STRUCTURAL ANALYSIS OF ALPHA-D-GLUCOSE-1-PHOSPHATE CYTIDYLYLTRANSFERASE FR SALMONELLA TYPHI. J.BIOL.CHEM. V. 280 10774 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WVC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 1TZF - C5G C15 H25 N3 O16 P2 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 1 families.
1 1WVC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 1TZF - C5G C15 H25 N3 O16 P2 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 1 families.
1 1WVC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 1TZF - C5G C15 H25 N3 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C5G; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 C5G 1 1
2 CDP 0.707317 0.944444
3 CXY 0.706522 0.972222
4 HF4 0.702381 0.944444
5 CTP 0.702381 0.944444
6 GDU 0.688889 0.943662
7 GUD 0.688889 0.943662
8 UPG 0.688889 0.943662
9 UFM 0.688889 0.943662
10 7XL 0.651685 0.945205
11 C2G 0.648352 0.958333
12 C5P 0.634146 0.930556
13 C 0.634146 0.930556
14 CAR 0.634146 0.930556
15 0RC 0.633333 0.92
16 CDM 0.614583 0.896104
17 2TM 0.593407 0.906667
18 CDC 0.587629 0.807229
19 1AA 0.571429 0.933333
20 2GW 0.561905 0.905405
21 C C C C 0.555556 0.944444
22 USQ 0.554455 0.804878
23 UFG 0.55 0.893333
24 AR3 0.55 0.859155
25 CTN 0.55 0.859155
26 UPF 0.55 0.893333
27 U2F 0.55 0.893333
28 CSV 0.528302 0.932432
29 CSQ 0.528302 0.932432
30 1GW 0.526786 0.87013
31 C C 0.525253 0.930556
32 UD2 0.518519 0.930556
33 UD1 0.518519 0.930556
34 C3P 0.511364 0.916667
35 UGB 0.509615 0.929577
36 UGA 0.509615 0.929577
37 MCN 0.508475 0.821429
38 91P 0.504274 0.831325
39 FN5 0.504274 0.922078
40 GPC 0.491803 0.821429
41 IUG 0.491228 0.817073
42 G3N 0.490566 0.917808
43 UDX 0.490385 0.916667
44 UAD 0.490385 0.916667
45 I5A 0.488095 0.794521
46 PCD 0.488 0.784091
47 DAU 0.485981 0.846154
48 2AA 0.483333 0.714286
49 C2P 0.477778 0.930556
50 EPU 0.470588 0.905405
51 EEB 0.470588 0.905405
52 UTP 0.46875 0.888889
53 UDP 0.468085 0.888889
54 ADQ 0.46729 0.833333
55 PMT 0.466102 0.851852
56 U5F 0.463918 0.888889
57 EPZ 0.462185 0.917808
58 660 0.461538 0.90411
59 URM 0.461538 0.90411
60 GDC 0.460177 0.85
61 GKE 0.460177 0.85
62 GDD 0.460177 0.85
63 G C 0.455285 0.839506
64 MJZ 0.452174 0.917808
65 CSF 0.451613 0.922078
66 F5P 0.448276 0.917808
67 UD4 0.448276 0.917808
68 F5G 0.448276 0.90411
69 16B 0.446809 0.868421
70 UPU 0.445545 0.915493
71 3UC 0.445455 0.893333
72 DKZ 0.444444 0.773333
73 HP7 0.443478 0.916667
74 UD7 0.443478 0.90411
75 HQ5 0.443396 0.741573
76 GTF 0.441176 0.855263
77 A C A C 0.440945 0.860759
78 UMA 0.440945 0.917808
79 DCP 0.435644 0.855263
80 UDZ 0.433333 0.858974
81 U21 0.431818 0.817073
82 U22 0.431818 0.797619
83 U20 0.431818 0.817073
84 U A C C 0.429688 0.848101
85 YSC 0.428571 0.770115
86 UNP 0.425743 0.864865
87 GCQ 0.425743 0.855263
88 UDH 0.424528 0.846154
89 UPP 0.424528 0.890411
90 YYY 0.424242 0.855263
91 A U C C 0.423358 0.860759
92 C5P SIA 0.414062 0.945946
93 CG2 0.412698 0.875
94 5HM 0.412371 0.932432
95 G G G C 0.412214 0.829268
96 12V 0.411765 0.88
97 HWU 0.411765 0.88
98 A G C C 0.409091 0.82716
99 UDM 0.408696 0.891892
100 U5P 0.404255 0.875
101 U 0.404255 0.875
102 UAG 0.401408 0.87013
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WVC; 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: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WVC; 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: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WVC; 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: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WVC; 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: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WVC; 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: 5) in the query (biounit: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1WVC; 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: 6) in the query (biounit: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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