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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CTP A:401;
Valid;
none;
submit data
483.156 C9 H16 N3 O14 P3 C1=CN...
MG A:402;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NI A:403;
Part of Protein;
none;
submit data
58.693 Ni [Ni+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: CTP; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 CTP 1 1
2 HF4 1 1
3 CDP 0.895522 1
4 CAR 0.753623 0.985507
5 C 0.753623 0.985507
6 C5P 0.753623 0.985507
7 7XL 0.74026 0.944444
8 C2G 0.734177 0.957747
9 C5G 0.702381 0.944444
10 CDM 0.690476 0.894737
11 CDC 0.678571 0.82716
12 CXY 0.674419 0.944444
13 UTP 0.620253 0.942029
14 1AA 0.617021 0.906667
15 DCP 0.609756 0.90411
16 AR3 0.608696 0.857143
17 CTN 0.608696 0.857143
18 GTF 0.595238 0.90411
19 C C C C 0.58427 0.916667
20 91P 0.582524 0.851852
21 I5A 0.577465 0.816901
22 C C 0.568182 0.929577
23 UDP 0.54321 0.942029
24 MCN 0.542056 0.819277
25 2AA 0.542056 0.693878
26 C3P 0.538462 0.942857
27 PMT 0.52381 0.85
28 YYY 0.52381 0.90411
29 GCQ 0.523256 0.90411
30 CSQ 0.520408 0.905405
31 CSV 0.520408 0.905405
32 16B 0.518519 0.917808
33 PCD 0.517544 0.781609
34 C2P 0.5 0.957143
35 GPC 0.495575 0.819277
36 FN5 0.495413 0.871795
37 CSF 0.491071 0.871795
38 DKZ 0.481013 0.746667
39 8GT 0.473118 0.907895
40 UNP 0.47191 0.915493
41 TKW 0.46988 0.971429
42 H6Y 0.463158 0.855263
43 5HM 0.458824 0.958333
44 G C 0.45614 0.8375
45 MGT 0.453608 0.829268
46 UPP 0.452632 0.888889
47 UDH 0.452632 0.844156
48 GUD 0.447917 0.888889
49 UPG 0.447917 0.888889
50 UFM 0.447917 0.888889
51 GDU 0.447917 0.888889
52 DCM 0.447059 0.890411
53 DC 0.447059 0.890411
54 A C A C 0.440678 0.835443
55 UPF 0.434343 0.842105
56 UFG 0.434343 0.842105
57 U2F 0.434343 0.842105
58 U5P 0.433735 0.927536
59 U 0.433735 0.927536
60 660 0.43299 0.876712
61 URM 0.43299 0.876712
62 UP5 0.432432 0.857143
63 5GW 0.431579 0.890411
64 UPU 0.430108 0.887324
65 U A C C 0.428571 0.846154
66 PRT 0.424528 0.842105
67 C5P SIA 0.423729 0.893333
68 DOC 0.423529 0.890411
69 G3N 0.421569 0.890411
70 G G G C 0.421488 0.85
71 G8D 0.421053 0.907895
72 UDX 0.42 0.888889
73 UAD 0.42 0.888889
74 A G C C 0.418033 0.848101
75 2KH 0.417582 0.915493
76 3UC 0.417476 0.842105
77 4GW 0.415842 0.866667
78 UGB 0.411765 0.901408
79 V12 0.411765 0.75
80 USQ 0.411765 0.780488
81 UGA 0.411765 0.901408
82 CG2 0.410256 0.873418
83 GEO 0.407407 0.783784
84 G C C C 0.404762 0.860759
85 NVG 0.403846 0.731707
86 44P 0.402299 0.902778
87 8OD 0.402062 0.855263
88 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 : 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: 76
This union binding pocket(no: 2) in the query (biounit: 1wvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5JAX 6J7 1.48148
2 4CPB GAL CN8 1.65289
3 2J0B UDP 1.9305
4 3PNA CMP 1.94805
5 5VCM UDP 2.3166
6 2GRU EXO 2.3166
7 3UN3 G16 2.7027
8 3QH2 3NM 2.71493
9 5WKC PXD 2.8065
10 2ZX2 RAM 3.07692
11 5FPE 3TR 3.0888
12 3LKF PC 3.0888
13 1NCE CB3 3.0888
14 5NM7 GLY 3.0888
15 2JE7 XMM 3.34728
16 2OEG UPG 3.4749
17 2WZF BGC 3.4749
18 3QPB URA 3.4749
19 3CKJ CIT 3.64742
20 6FTB M0E 3.80952
21 2YQS UD1 3.861
22 1F76 ORO 3.861
23 3BP1 GUN 3.861
24 6DWI HD4 3.86266
25 1QGQ UDP 3.92157
26 3LL5 IP8 4.01606
27 4UHO PLP 4.2471
28 2ICY UPG 4.6332
29 5FPN KYD 4.6332
30 6FOG OXL 4.91071
31 2X1L ADN 5.01931
32 5H4S RAM 5.40541
33 3OH3 UAD 5.40541
34 4RKX 3S9 5.40541
35 2PA4 UPG 5.79151
36 5MB4 NAG 5.79151
37 3ZF8 GDP 6.17761
38 4R8L ASP 6.17761
39 3GXA MET 6.17761
40 3IR1 MET 6.53061
41 1JV1 UD1 6.56371
42 1YXM ADE 6.94981
43 1X14 NAD 6.94981
44 2F6U CIT 7.26496
45 1H7F C5P 7.34694
46 3K8D CTP 8.10811
47 6ACS CIT 8.13953
48 3K1X DBX 8.46154
49 2GJ5 VD3 9.25926
50 1FRW GTP 9.79381
51 1I52 CTP 10.1695
52 2AWN ADP 10.4247
53 2NU8 COA 11.1969
54 5YRG BGC GLC 11.2676
55 1L7N AF3 11.3744
56 1KHT AMP 11.4583
57 3JUK UPG 11.583
58 1LVW TYD 11.9691
59 1H5R THM 11.9691
60 1IIM TTP 11.9691
61 1H5S TMP 11.9691
62 1H5T DAU 11.9691
63 2XWL CTP 12.5561
64 1EYR CDP 13.1579
65 5Z0A NAG 13.8996
66 2Y6P CTP 14.5299
67 1DQN IMU 17.3913
68 1W55 C 22.0077
69 1YP4 ADP 26.6409
70 1YP4 ADQ 26.6409
71 5HS2 CTP 28.0172
72 2YC5 6BC 28.0702
73 4KQL 1SG 30.5019
74 1HV9 UD1 38.61
75 1FWY UD1 38.61
76 4Y7U 2KH 44.1558
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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