Receptor
PDB id Resolution Class Description Source Keywords
1JYL 2.4 Å EC: 2.-.-.- CATALYTIC MECHANISM OF CTP:PHOSPHOCHOLINE CYTIDYLYTRANSFERASE FROM STREPTOCOCCUS PNEUMONIAE (LICC) STREPTOCOCCUS PNEUMONIAE LICC 3D STRUCTURE CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE
Ref.: STRUCTURE AND MECHANISM OF CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE (LICC) FROM STREPTOCOCCUS PNEUMONIAE. J.BIOL.CHEM. V. 277 4343 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDC A:1991;
B:2991;
C:3991;
D:4991;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
488.324 C14 H26 N4 O11 P2 C[N+]...
MG A:1996;
B:2996;
C:3996;
D:4996;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JYL 2.4 Å EC: 2.-.-.- CATALYTIC MECHANISM OF CTP:PHOSPHOCHOLINE CYTIDYLYTRANSFERASE FROM STREPTOCOCCUS PNEUMONIAE (LICC) STREPTOCOCCUS PNEUMONIAE LICC 3D STRUCTURE CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE
Ref.: STRUCTURE AND MECHANISM OF CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE (LICC) FROM STREPTOCOCCUS PNEUMONIAE. J.BIOL.CHEM. V. 277 4343 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1JYL - CDC C14 H26 N4 O11 P2 C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 1JYL - CDC C14 H26 N4 O11 P2 C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1JYL - CDC C14 H26 N4 O11 P2 C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDC; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 CDC 1 1
2 CDP 0.725 0.82716
3 CTP 0.678571 0.82716
4 HF4 0.678571 0.82716
5 7XL 0.647727 0.829268
6 C2G 0.644444 0.817073
7 CAR 0.62963 0.8375
8 C 0.62963 0.8375
9 C5P 0.62963 0.8375
10 CDM 0.610526 0.833333
11 C5G 0.587629 0.807229
12 CXY 0.581633 0.807229
13 C C 0.568421 0.8375
14 1AA 0.552381 0.8
15 C C C C 0.55102 0.82716
16 2AA 0.54386 0.742574
17 MCN 0.517241 0.712766
18 91P 0.513043 0.777778
19 AR3 0.506173 0.728395
20 CTN 0.506173 0.728395
21 I5A 0.5 0.716049
22 PMT 0.474138 0.880952
23 C3P 0.47191 0.802469
24 FN5 0.462185 0.772727
25 PCD 0.460317 0.683673
26 CSV 0.454545 0.797619
27 CSQ 0.454545 0.797619
28 GPC 0.451613 0.712766
29 YYY 0.447917 0.77381
30 CSF 0.447154 0.772727
31 UDP 0.446809 0.777778
32 16B 0.44086 0.785714
33 C2P 0.43956 0.792683
34 G C 0.439024 0.744444
35 U A C C 0.436508 0.770115
36 C5P SIA 0.432 0.809524
37 DCP 0.43 0.77381
38 A G C C 0.426357 0.752809
39 A C A C 0.425197 0.761364
40 GCQ 0.42 0.752941
41 UDH 0.419048 0.788235
42 G G G C 0.418605 0.755556
43 UTP 0.418367 0.777778
44 GTF 0.407767 0.752941
45 DKZ 0.406593 0.639535
46 UNP 0.405941 0.759036
47 UPP 0.40566 0.759036
48 G C C C 0.402985 0.764045
49 UDP UDP 0.402062 0.797468
50 TKW 0.4 0.82716
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JYL; Ligand: CDC; 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: 1jyl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JYL; Ligand: CDC; 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: 1jyl.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JYL; Ligand: CDC; 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: 1jyl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JYL; Ligand: CDC; 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: 1jyl.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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