Receptor
PDB id Resolution Class Description Source Keywords
3HL4 2.2 Å EC: 2.7.7.15 CRYSTAL STRUCTURE OF A MAMMALIAN CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE WITH CDP-CHOLINE RATTUS NORVEGICUS CYTIDYLYLTRANSFERASE ROSSMANN FOLD PHOSPHOLIPID SYNTHESISPHOSPHATIDYLCHOLINE PHOSPHOCHOLINE CTP CDP-CHOLINE AMPHPROTEIN LIPID METABOLISM NUCLEOTIDYLTRANSFERASE PHOSPHOPTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A MAMMALIAN CTP: PHOSPHOCHOLIN CYTIDYLYLTRANSFERASE CATALYTIC DOMAIN REVEALS NOVEL SITE RESIDUES WITHIN A HIGHLY CONSERVED NUCLEOTIDYL-TRANSFERASE FOLD J.BIOL.CHEM. V. 284 33535 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDC A:237;
B:237;
Valid;
Valid;
none;
none;
submit data
488.324 C14 H26 N4 O11 P2 C[N+]...
FMT A:239;
A:240;
A:241;
A:242;
B:238;
B:239;
B:240;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
GOL A:238;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HL4 2.2 Å EC: 2.7.7.15 CRYSTAL STRUCTURE OF A MAMMALIAN CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE WITH CDP-CHOLINE RATTUS NORVEGICUS CYTIDYLYLTRANSFERASE ROSSMANN FOLD PHOSPHOLIPID SYNTHESISPHOSPHATIDYLCHOLINE PHOSPHOCHOLINE CTP CDP-CHOLINE AMPHPROTEIN LIPID METABOLISM NUCLEOTIDYLTRANSFERASE PHOSPHOPTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A MAMMALIAN CTP: PHOSPHOCHOLIN CYTIDYLYLTRANSFERASE CATALYTIC DOMAIN REVEALS NOVEL SITE RESIDUES WITHIN A HIGHLY CONSERVED NUCLEOTIDYL-TRANSFERASE FOLD J.BIOL.CHEM. V. 284 33535 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HL4 - 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 1 families.
1 3HL4 - 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 1 families.
1 3HL4 - CDC C14 H26 N4 O11 P2 C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDC; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 CDC 1 1
2 CDP 0.725 0.82716
3 HF4 0.678571 0.82716
4 CTP 0.678571 0.82716
5 0RC 0.666667 0.853659
6 7XL 0.647727 0.829268
7 C2G 0.644444 0.817073
8 CAR 0.62963 0.8375
9 C 0.62963 0.8375
10 C5P 0.62963 0.8375
11 CDM 0.610526 0.833333
12 2TM 0.588889 0.797619
13 C5G 0.587629 0.807229
14 CXY 0.581633 0.807229
15 C C 0.568421 0.8375
16 1AA 0.552381 0.8
17 C C C C 0.55102 0.82716
18 2AA 0.54386 0.742574
19 MCN 0.517241 0.712766
20 91P 0.513043 0.777778
21 CTN 0.506173 0.728395
22 AR3 0.506173 0.728395
23 I5A 0.5 0.716049
24 PMT 0.474138 0.880952
25 C3P 0.47191 0.802469
26 FN5 0.462185 0.772727
27 PCD 0.460317 0.683673
28 CSQ 0.454545 0.797619
29 CSV 0.454545 0.797619
30 GPC 0.451613 0.712766
31 YYY 0.447917 0.77381
32 CSF 0.447154 0.772727
33 UDP 0.446809 0.777778
34 16B 0.44086 0.785714
35 C2P 0.43956 0.792683
36 G C 0.439024 0.744444
37 HQ5 0.438095 0.771739
38 U A C C 0.436508 0.770115
39 C5P SIA 0.432 0.809524
40 DCP 0.43 0.77381
41 A G C C 0.426357 0.752809
42 A C A C 0.425197 0.761364
43 GCQ 0.42 0.752941
44 UDH 0.419048 0.788235
45 G G G C 0.418605 0.755556
46 UTP 0.418367 0.777778
47 U5F 0.414141 0.777778
48 YSC 0.410714 0.705263
49 GTF 0.407767 0.752941
50 DKZ 0.406593 0.639535
51 UNP 0.405941 0.759036
52 UPP 0.40566 0.759036
53 G C C C 0.402985 0.764045
54 UDP UDP 0.402062 0.797468
55 TKW 0.4 0.82716
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HL4; 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: 3hl4.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HL4; 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: 3hl4.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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