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 (2D)
Ligand no: 1; Ligand: C5G; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 C5G 1 1
2 CDP 0.707317 0.944444
3 CXY 0.706522 0.972222
4 CTP 0.702381 0.944444
5 HF4 0.702381 0.944444
6 UFM 0.688889 0.943662
7 GDU 0.688889 0.943662
8 UPG 0.688889 0.943662
9 7XL 0.651685 0.945205
10 C2G 0.648352 0.958333
11 C 0.634146 0.930556
12 C5P 0.634146 0.930556
13 CAR 0.634146 0.930556
14 0RC 0.633333 0.92
15 CDM 0.614583 0.896104
16 2TM 0.593407 0.906667
17 CDC 0.587629 0.807229
18 CDP MG 0.573034 0.916667
19 1AA 0.571429 0.933333
20 2GW 0.561905 0.905405
21 USQ 0.554455 0.804878
22 UFG 0.55 0.893333
23 CTN 0.55 0.859155
24 AR3 0.55 0.859155
25 UPF 0.55 0.893333
26 U2F 0.55 0.893333
27 A7R 0.53211 0.932432
28 AWU 0.53 0.916667
29 CSQ 0.528302 0.932432
30 CSV 0.528302 0.932432
31 1GW 0.526786 0.87013
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 CDP RB0 0.490566 0.918919
44 UAD 0.490385 0.916667
45 UDP GAL 0.490385 0.916667
46 UDX 0.490385 0.916667
47 I5A 0.488095 0.794521
48 PCD 0.488 0.784091
49 DAU 0.485981 0.846154
50 2AA 0.483333 0.714286
51 C2P 0.477778 0.930556
52 UGF 0.476636 0.88
53 EPU 0.470588 0.905405
54 EEB 0.470588 0.905405
55 UTP 0.46875 0.888889
56 UDP 0.468085 0.888889
57 ADQ 0.46729 0.833333
58 PMT 0.466102 0.851852
59 U5F 0.463918 0.888889
60 EPZ 0.462185 0.917808
61 660 0.461538 0.90411
62 URM 0.461538 0.90411
63 FZQ 0.460784 0.8
64 GKE 0.460177 0.85
65 GDD 0.460177 0.85
66 GDC 0.460177 0.85
67 G G 6MZ C 0.459016 0.839506
68 NCC 0.455285 0.972603
69 G C 0.455285 0.839506
70 MJZ 0.452174 0.917808
71 CSF 0.451613 0.922078
72 UD4 0.448276 0.917808
73 F5P 0.448276 0.917808
74 F5G 0.448276 0.90411
75 16B 0.446809 0.868421
76 UPU 0.445545 0.915493
77 3UC 0.445455 0.893333
78 DKZ 0.444444 0.773333
79 UD7 0.443478 0.90411
80 HP7 0.443478 0.916667
81 HQ5 0.443396 0.741573
82 GTF 0.441176 0.855263
83 UMA 0.440945 0.917808
84 DCP 0.435644 0.855263
85 UDZ 0.433333 0.858974
86 U22 0.431818 0.797619
87 U21 0.431818 0.817073
88 U20 0.431818 0.817073
89 YSC 0.428571 0.770115
90 UNP 0.425743 0.864865
91 GCQ 0.425743 0.855263
92 UPP 0.424528 0.890411
93 UDH 0.424528 0.846154
94 YYY 0.424242 0.855263
95 C5P SIA 0.414062 0.945946
96 CG2 0.412698 0.875
97 5HM 0.412371 0.932432
98 12V 0.411765 0.88
99 HWU 0.411765 0.88
100 UDM 0.408696 0.891892
101 6MZ C U 0.404255 0.839506
102 U5P 0.404255 0.875
103 U 0.404255 0.875
104 UAG 0.401408 0.87013
Similar Ligands (3D)
Ligand no: 1; Ligand: C5G; 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 : 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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