-->
Receptor
PDB id Resolution Class Description Source Keywords
2YK7 2.18 Å EC: 2.4.99.- STRUCTURE OF NEISSERIA LOS-SPECIFIC SIALYLTRANSFERASE (NST), IN COMPLEX WITH CMP-3F-NEU5AC. NEISSERIA MENINGITIDIS SEROGROUP B TRANSFERASE
Ref.: STRUCTURE AND MECHANISM OF THE LIPOOLIGOSACCHARIDE SIALYLTRANSFERASE FROM NEISSERIA MENINGITIDIS J.BIOL.CHEM. V. 286 37237 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:1372;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
CSF A:1371;
Valid;
none;
submit data
632.442 C20 H30 F N4 O16 P CC(=O...
EDO A:1373;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YK7 2.18 Å EC: 2.4.99.- STRUCTURE OF NEISSERIA LOS-SPECIFIC SIALYLTRANSFERASE (NST), IN COMPLEX WITH CMP-3F-NEU5AC. NEISSERIA MENINGITIDIS SEROGROUP B TRANSFERASE
Ref.: STRUCTURE AND MECHANISM OF THE LIPOOLIGOSACCHARIDE SIALYLTRANSFERASE FROM NEISSERIA MENINGITIDIS J.BIOL.CHEM. V. 286 37237 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2YK7 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
2 2YK5 - C C9 H14 N3 O8 P 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 6 families.
1 2YK7 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
2 2YK5 - C C9 H14 N3 O8 P 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 5 families.
1 2YK7 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
2 2YK5 - C C9 H14 N3 O8 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CSF; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 CSF 1 1
2 FN5 0.639344 1
3 C5P SIA 0.576923 0.923077
4 C2G 0.513043 0.909091
5 CDP 0.504587 0.871795
6 CTP 0.491071 0.871795
7 HF4 0.491071 0.871795
8 CDM 0.479339 0.876543
9 C 0.476636 0.858974
10 CAR 0.476636 0.858974
11 C5P 0.476636 0.858974
12 7XL 0.474138 0.897436
13 C5G 0.451613 0.922078
14 PMT 0.448529 0.835294
15 CXY 0.448 0.922078
16 CDC 0.447154 0.772727
17 1AA 0.421053 0.864198
18 GPC 0.410959 0.848837
19 C C C C 0.401575 0.871795
20 C C 0.4 0.858974
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YK7; Ligand: CSF; Similar sites found with APoc: 64
This union binding pocket(no: 1) in the query (biounit: 2yk7.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4CQK PIO None
3 4V3C C 2.14724
4 3E70 GDP 2.14724
5 1RZM E4P 2.14724
6 5UCD NAP 2.14724
7 2QE0 NAP 2.14724
8 5NXX 3Q7 2.23881
9 4DE2 DN3 2.28137
10 3ZUY TCH 2.47678
11 2WT9 NIO 2.55319
12 2BSA NAP 2.64026
13 3QSB 743 2.76074
14 2Z49 AMG 3.06748
15 2Z48 NGA 3.06748
16 1NBU PH2 3.36134
17 5L4R CPT 3.38164
18 6MVU K4V 3.68098
19 2XOC ADP 3.83142
20 2IHK CSF 3.98773
21 2BHZ MAL 3.98773
22 6B5G CQY 3.98773
23 6B5G NAD 3.98773
24 2ZWI C5P 4.29448
25 4R84 CSF 4.29448
26 3VSV XYS 4.29448
27 3CYQ AMU 4.34783
28 1TE2 PGA 4.42478
29 4A59 AMP 4.60123
30 4LZB URA 4.62185
31 3W6G FLC 4.62963
32 2Z4T C5P 4.90798
33 4I9B NAD 4.90798
34 3RKR NAP 4.96183
35 5L2M 6ZY 5.52147
36 5JFL NAD 5.52147
37 1QFY NAP 5.84416
38 1QFY FAD 5.84416
39 2BJK NAD 6.13497
40 6GR0 F8W 6.32184
41 5DBV COA 6.44172
42 1KY8 NAP 7.05521
43 1XVB BHL BHL 7.05882
44 1XVB BHL 7.05882
45 5EE7 5MV 7.07965
46 2WOX NDP 7.36196
47 1PCA CIT 7.36196
48 2WME NAP 7.36196
49 4BHL ARG 7.36196
50 1U1J MET 7.36196
51 1YQC GLV 7.64706
52 1NX0 ALA LYS ALA ILE ALA 8.09249
53 4PTN PYR 8.74636
54 2XG5 EC5 9.17431
55 2XG5 EC2 9.17431
56 5OCG 9R5 10.0529
57 3KIV ACA 10.1266
58 4OE4 NAD 10.7362
59 6FA4 D1W 10.9827
60 1G4U AF3 11.413
61 1SQL GUN 11.6438
62 4PXL NAD 12.8834
63 3PMA SCR 15.0579
64 2IMP NAI 17.4847
Pocket No.: 2; Query (leader) PDB : 2YK7; Ligand: CSF; 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: 2yk7.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback