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 236 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 211 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 166 families.
1 1JYL - CDC C14 H26 N4 O11 P2 C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDC; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 CDC 1 1
2 CDP 0.725 0.82716
3 CTP 0.678571 0.82716
4 CDP MG 0.654762 0.817073
5 7XL 0.647727 0.829268
6 C2G 0.644444 0.817073
7 C5P 0.62963 0.8375
8 CAR 0.62963 0.8375
9 C 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 2AA 0.54386 0.742574
16 MCN 0.517241 0.712766
17 91P 0.513043 0.777778
18 CTN 0.506173 0.728395
19 AR3 0.506173 0.728395
20 I5A 0.5 0.716049
21 PMT 0.474138 0.880952
22 C3P 0.47191 0.802469
23 FN5 0.462185 0.772727
24 PCD 0.460317 0.683673
25 CSV 0.454545 0.797619
26 CSQ 0.454545 0.797619
27 GPC 0.451613 0.712766
28 YYY 0.447917 0.77381
29 CSF 0.447154 0.772727
30 UDP 0.446809 0.777778
31 16B 0.44086 0.785714
32 C2P 0.43956 0.792683
33 G C 0.439024 0.744444
34 U A C C 0.436508 0.770115
35 C5P SIA 0.432 0.809524
36 DCP 0.43 0.77381
37 A G C C 0.426357 0.752809
38 DCP MG 0.421569 0.764706
39 GCQ 0.42 0.752941
40 UDH 0.419048 0.788235
41 G G G C 0.418605 0.755556
42 UTP 0.418367 0.777778
43 DKZ 0.406593 0.639535
44 UNP 0.405941 0.759036
45 UPP 0.40566 0.759036
46 G C C C 0.402985 0.764045
47 UDP UDP 0.402062 0.797468
48 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JYL; Ligand: CDC; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JYL; Ligand: CDC; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JYL; Ligand: CDC; Similar sites found: 34
This union binding pocket(no: 4) in the query (biounit: 1jyl.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LCN GNG 0.01228 0.40708 None
2 1I52 CTP 0.00001202 0.45377 1.27119
3 2OEG UPG 0.000002222 0.54827 3.54331
4 4I9B 1KA 0.004118 0.43089 3.54331
5 2QGI UDP 0.01557 0.4156 3.62903
6 5LNE A2G GAL 0.02165 0.41452 3.65854
7 1YP4 ADQ 0.0004869 0.45318 3.93701
8 1YP4 ADP 0.001016 0.41919 3.93701
9 2OVW CBI 0.02382 0.40082 4.72441
10 1FRW GTP 0.0006404 0.45806 5.15464
11 2FKA BEF 0.01293 0.40145 5.42636
12 3OH3 UAD 0.00006604 0.49015 5.51181
13 3MA0 XYP 0.02218 0.40659 5.51181
14 4JIE BMA 0.03151 0.40193 5.51181
15 1JV1 UD1 0.00000435 0.47095 6.29921
16 2YQS UD1 0.00001537 0.47232 6.69291
17 2D7I UDP 0.01423 0.40401 6.69291
18 1OJJ GLC GAL 0.02387 0.40078 7.08661
19 3ITJ CIT 0.02263 0.4168 10.2362
20 2BO4 FLC 0.001921 0.42614 10.6299
21 1H7F C5P 0.0005279 0.45713 11.0204
22 2Y6P CTP 0.001568 0.44491 11.1111
23 1FWY UD1 0.00003124 0.50056 11.811
24 2PA4 UPG 0.000092 0.49105 12.2047
25 1H5T DAU 0.001016 0.40307 12.2047
26 1HV9 UD1 0.00001648 0.51238 12.9921
27 1WVC CTP 0.00003869 0.46883 12.9921
28 2XWL CTP 0.00002601 0.51516 13.0045
29 4KQL 1SG 0.00007017 0.50931 13.7795
30 3K8D CTP 0.0009417 0.413 14.1732
31 3JUK UPG 0.00005324 0.49603 18.1102
32 4G87 UD1 0.000002346 0.5602 23.622
33 2ICY UPG 0.0001569 0.45325 27.1654
34 5HS2 CTP 0.00001282 0.48273 35.3448
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