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 (2D)
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 CTP 0.678571 0.82716
4 HF4 0.678571 0.82716
5 0RC 0.666667 0.853659
6 CDP MG 0.662651 0.848101
7 7XL 0.647727 0.829268
8 C2G 0.644444 0.817073
9 C 0.62963 0.8375
10 CAR 0.62963 0.8375
11 C5P 0.62963 0.8375
12 CDM 0.610526 0.833333
13 2TM 0.588889 0.797619
14 C5G 0.587629 0.807229
15 CXY 0.581633 0.807229
16 1AA 0.552381 0.8
17 CDP RB0 0.544554 0.807229
18 2AA 0.54386 0.742574
19 A7R 0.527778 0.819277
20 MCN 0.517241 0.712766
21 91P 0.513043 0.777778
22 AR3 0.506173 0.728395
23 CTN 0.506173 0.728395
24 I5A 0.5 0.716049
25 PMT 0.474138 0.880952
26 C3P 0.47191 0.802469
27 FN5 0.462185 0.772727
28 PCD 0.460317 0.683673
29 CSV 0.454545 0.797619
30 CSQ 0.454545 0.797619
31 G G 6MZ C 0.454545 0.784091
32 GPC 0.451613 0.712766
33 NCC 0.45082 0.809524
34 YYY 0.447917 0.77381
35 CSF 0.447154 0.772727
36 UDP 0.446809 0.777778
37 FZQ 0.441176 0.712766
38 16B 0.44086 0.785714
39 C2P 0.43956 0.792683
40 G C 0.439024 0.744444
41 HQ5 0.438095 0.771739
42 C5P SIA 0.432 0.809524
43 DCP 0.43 0.77381
44 DCP MG 0.425743 0.792683
45 GCQ 0.42 0.752941
46 UDH 0.419048 0.788235
47 UTP 0.418367 0.777778
48 U5F 0.414141 0.777778
49 YSC 0.410714 0.705263
50 GTF 0.407767 0.752941
51 DKZ 0.406593 0.639535
52 UNP 0.405941 0.759036
53 UPP 0.40566 0.759036
54 UDP UDP 0.402062 0.797468
55 TKW 0.4 0.82716
Similar Ligands (3D)
Ligand no: 1; Ligand: CDC; Similar ligands found: 1
No: Ligand Similarity coefficient
1 YSU 0.8643
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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