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: 97
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 UPG 0.688889 0.943662
7 UFM 0.688889 0.943662
8 GDU 0.688889 0.943662
9 GUD 0.688889 0.943662
10 7XL 0.651685 0.945205
11 C2G 0.648352 0.958333
12 C 0.634146 0.930556
13 CAR 0.634146 0.930556
14 C5P 0.634146 0.930556
15 CDM 0.614583 0.896104
16 CDC 0.587629 0.807229
17 1AA 0.571429 0.933333
18 2GW 0.561905 0.905405
19 C C C C 0.555556 0.944444
20 USQ 0.554455 0.804878
21 AR3 0.55 0.859155
22 CTN 0.55 0.859155
23 UFG 0.55 0.893333
24 U2F 0.55 0.893333
25 UPF 0.55 0.893333
26 CSQ 0.528302 0.932432
27 CSV 0.528302 0.932432
28 1GW 0.526786 0.87013
29 C C 0.525253 0.930556
30 UD2 0.518519 0.930556
31 UD1 0.518519 0.930556
32 C3P 0.511364 0.916667
33 UGA 0.509615 0.929577
34 UGB 0.509615 0.929577
35 MCN 0.508475 0.821429
36 FN5 0.504274 0.922078
37 91P 0.504274 0.831325
38 GPC 0.491803 0.821429
39 IUG 0.491228 0.817073
40 G3N 0.490566 0.917808
41 UDX 0.490385 0.916667
42 UAD 0.490385 0.916667
43 I5A 0.488095 0.794521
44 PCD 0.488 0.784091
45 DAU 0.485981 0.846154
46 2AA 0.483333 0.714286
47 C2P 0.477778 0.930556
48 EEB 0.470588 0.905405
49 EPU 0.470588 0.905405
50 UTP 0.46875 0.888889
51 UDP 0.468085 0.888889
52 ADQ 0.46729 0.833333
53 PMT 0.466102 0.851852
54 EPZ 0.462185 0.917808
55 URM 0.461538 0.90411
56 660 0.461538 0.90411
57 GDC 0.460177 0.85
58 GKE 0.460177 0.85
59 GDD 0.460177 0.85
60 G C 0.455285 0.839506
61 MJZ 0.452174 0.917808
62 CSF 0.451613 0.922078
63 UD4 0.448276 0.917808
64 F5G 0.448276 0.90411
65 F5P 0.448276 0.917808
66 16B 0.446809 0.868421
67 UPU 0.445545 0.915493
68 3UC 0.445455 0.893333
69 DKZ 0.444444 0.773333
70 HP7 0.443478 0.916667
71 UD7 0.443478 0.90411
72 GTF 0.441176 0.855263
73 A C A C 0.440945 0.860759
74 UMA 0.440945 0.917808
75 DCP 0.435644 0.855263
76 UDZ 0.433333 0.858974
77 U22 0.431818 0.797619
78 U20 0.431818 0.817073
79 U21 0.431818 0.817073
80 U A C C 0.429688 0.848101
81 UNP 0.425743 0.864865
82 GCQ 0.425743 0.855263
83 UPP 0.424528 0.890411
84 UDH 0.424528 0.846154
85 YYY 0.424242 0.855263
86 A U C C 0.423358 0.860759
87 C5P SIA 0.414062 0.945946
88 CG2 0.412698 0.875
89 5HM 0.412371 0.932432
90 G G G C 0.412214 0.829268
91 12V 0.411765 0.88
92 HWU 0.411765 0.88
93 A G C C 0.409091 0.82716
94 UDM 0.408696 0.891892
95 U5P 0.404255 0.875
96 U 0.404255 0.875
97 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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