MolNFT v1 · #66260 · protein
Crystal structure of a mammalian CTP:PHOSPHOCHOLINE cytidylyltransferase with cdp-choline
3HL4 · Choline-phosphate cytidylyltransferase a: “Crystal structure of a mammalian CTP:PHOSPHOCHOLINE cytidylyltransferase with cdp-choline”. X-ray diffraction, 1 ligand (CDC), 5 pockets (best druggability 0.73). MolNFT v1 #66260 on…
- PDB
- 3HL4
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choline-phosphate cytidylyltransferase a
- EC
- 2.7.7.15
- UniProt
- P19836
- Ligands
- CDC
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Choline-phosphate cytidylyltransferase a (EC 2.7.7.15) | protein | 176 | 34% helix, 16% strand | P19836 |
| B | Choline-phosphate cytidylyltransferase a (EC 2.7.7.15) | protein | 177 | 33% helix, 16% strand | P19836 |
Ligands and binding sites
- CDC · [2-cytidylate-O'-phosphonyloxyl]-ethyl-trimethyl-ammonium · ligand · 2 copies · chains A, B
- FMT · Formic acid · additive · 7 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.73 | 0.91 | 46 | FMT |
| 2 | 303 | 0.72 | 0.85 | 38 | CDC |
| 3 | 286 | 0.71 | 0.85 | 37 | CDC |
| 4 | 104 | 0.42 | 0.78 | 16 | empty |
| 5 | 119 | 0.42 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1944 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 3HL4 · Crystal structure of a mammalian CTP:phosphocholine cytidylyltransferase with CDP-choline · the same entry in another collection · chain A against A, TM-score 1.00
- P19836 · AlphaFold monomer V2.0 prediction for choline-phosphate cytidylyltransferase a (P19836) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P19836
- Elsewhere: RCSB PDB 3HL4 · PDBe 3HL4 · UniProt P19836
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.