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Receptor
PDB id Resolution Class Description Source Keywords
2P2V 1.85 Å EC: 2.4.99.- CRYSTAL STRUCTURE ANALYSIS OF MONOFUNCTIONAL ALPHA-2,3- SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI MIXED ALPHA-BETA TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-2,3-SIALYLTRANSFER FROM CAMPYLOBACTER JEJUNI IN APO AND SUBSTRATE-ANAL BOUND FORMS. BIOCHEMISTRY V. 46 7196 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:800;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CSF A:1001;
Valid;
none;
submit data
632.442 C20 H30 F N4 O16 P CC(=O...
EDO A:701;
A:702;
A:703;
A:704;
A:705;
A:706;
A:707;
A:708;
A:709;
A:710;
A:711;
A:712;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
2P2V 1.85 Å EC: 2.4.99.- CRYSTAL STRUCTURE ANALYSIS OF MONOFUNCTIONAL ALPHA-2,3- SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI MIXED ALPHA-BETA TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-2,3-SIALYLTRANSFER FROM CAMPYLOBACTER JEJUNI IN APO AND SUBSTRATE-ANAL BOUND FORMS. BIOCHEMISTRY V. 46 7196 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2P2V - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
70% Homology Family (1)
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@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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
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 : 2P2V; Ligand: CSF; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 2p2v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2O66 FLC None
2 2BTM PGA 1.19048
3 3I9U DTU 1.90114
4 2I6U CP 1.9544
5 2X1E X1E 2.08333
6 4DO1 ANN 2.08333
7 2B9F ADP 2.08333
8 1LPD ADE 2.3622
9 4GN8 ASO 2.43056
10 3GJB AKG 2.77778
11 2AJH MET 3.06122
12 4TQK NAG 3.125
13 5A1S FLC 3.125
14 4P5Z Q7M 3.125
15 4OJP MAL 3.47222
16 4PQG NAG 3.47222
17 5ZCT ANP 3.47222
18 2AJ4 GLA 3.81944
19 1M1B SPV 3.81944
20 3HCH RSM 4.10959
21 6BYF CIT 4.11765
22 6F3G CJN 4.16667
23 5ZI9 FLC 4.23077
24 2QX0 PH2 4.40252
25 1M26 GAL A2G 4.51128
26 4BG4 ARG 4.51389
27 4OWK NGA 5.07246
28 1T0S BML 5.81395
29 3KAL HGS 6.25
30 3K5I AIR 6.94444
31 2OFW ADX 7.69231
32 5M8T 0TR 7.98611
33 3EGI ADP 8.73786
34 5LV1 78T 9.64286
35 4YHQ G10 10.101
36 4WQQ MAN 10.6383
37 3KCC CMP 11.1538
38 4BLW SAH 13.1944
39 2WZF BGC 13.5417
40 4LZB URA 14.2857
41 1DCP HBI 15.3846
42 5BO9 CSF 20.1389
43 5BO9 SIA GAL NGS 20.1389
Pocket No.: 2; Query (leader) PDB : 2P2V; 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: 2p2v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2P2V; 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: 3) in the query (biounit: 2p2v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2P2V; 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: 4) in the query (biounit: 2p2v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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