Receptor
PDB id Resolution Class Description Source Keywords
2WQQ 2.25 Å EC: 2.4.99.- CRYSTALLOGRAPHIC ANALYSIS OF MONOMERIC CSTII CAMPYLOBACTER JEJUNI GTA CSTII TRANSFERASE SIALYLTRANSFERASE GLYCOSYLTRANSFER
Ref.: NMR SPECTROSCOPIC CHARACTERIZATION OF THE SIALYLTRA CSTII FROM CAMPLYOBACTER JEJUNI: HISTIDINE 188 IS T GENERAL BASE. BIOCHEMISTRY V. 48 11220 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CSF A:1259;
 Valid;
 none;
 submit data
632.442 C20 H30 F N4 O16 P CC(=O...
PEG A:1260;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WQQ 2.25 Å EC: 2.4.99.- CRYSTALLOGRAPHIC ANALYSIS OF MONOMERIC CSTII CAMPYLOBACTER JEJUNI GTA CSTII TRANSFERASE SIALYLTRANSFERASE GLYCOSYLTRANSFER
Ref.: NMR SPECTROSCOPIC CHARACTERIZATION OF THE SIALYLTRA CSTII FROM CAMPLYOBACTER JEJUNI: HISTIDINE 188 IS T GENERAL BASE. BIOCHEMISTRY V. 48 11220 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2WQQ - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2X62 - CH C9 H15 N3 O8 P C1=C(NC(=O....
2 1RO8 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
3 2X63 - C C9 H14 N3 O8 P C1=CN(C(=O....
4 2X61 - CH C9 H15 N3 O8 P C1=C(NC(=O....
5 2WQQ - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2P2V - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
2 2X62 - CH C9 H15 N3 O8 P C1=C(NC(=O....
3 1RO8 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
4 2X63 - C C9 H14 N3 O8 P C1=CN(C(=O....
5 2X61 - CH C9 H15 N3 O8 P C1=C(NC(=O....
6 2WQQ - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CSF; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 CSF 1 1
2 NCC 0.691667 0.948052
3 FN5 0.639344 1
4 C5P SIA 0.576923 0.923077
5 C2G 0.513043 0.909091
6 CDP 0.504587 0.871795
7 CTP 0.491071 0.871795
8 HF4 0.491071 0.871795
9 CDM 0.479339 0.876543
10 C 0.476636 0.858974
11 CAR 0.476636 0.858974
12 C5P 0.476636 0.858974
13 7XL 0.474138 0.897436
14 0RC 0.461538 0.875
15 C5G 0.451613 0.922078
16 PMT 0.448529 0.835294
17 CXY 0.448 0.922078
18 CDC 0.447154 0.772727
19 2TM 0.444444 0.8625
20 CDP RB0 0.444444 0.873418
21 CDP MG 0.438596 0.846154
22 A7R 0.425373 0.8625
23 1AA 0.421053 0.864198
24 FZQ 0.418033 0.766667
25 GPC 0.410959 0.848837
Similar Ligands (3D)
Ligand no: 1; Ligand: CSF; 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 : 2WQQ; 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: 1) in the query (biounit: 2wqq.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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