MolNFT v1 · #104332 · protein
Structure of AF2299, a cdp-alcohol phosphotransferase
4Q7C: “Structure of AF2299, a cdp-alcohol phosphotransferase”. X-ray diffraction, 3 ligands (MPG, C2G, CA), 3 pockets (best druggability 0.79). MolNFT v1 #104332 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q7C
- Type
- protein
- Length
- 673 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AF2299, a cdp-alcohol phosphotransferase
- UniProt
- O27985
- Ligands
- MPG, C2G, CA
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AF2299, a cdp-alcohol phosphotransferase | protein | 332 | 57% helix, 13% strand | O27985 |
| B | AF2299, a cdp-alcohol phosphotransferase | protein | 341 | 57% helix, 12% strand | O27985 |
Ligands and binding sites
- MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 8 copies · chains A, B
- C2G · [cytidine-5'-phosphate] glycerylphosphoric acid ester · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.79 | 0.83 | 77 | TLA, C2G |
| 2 | 795 | 0.74 | 0.79 | 58 | TLA, C2G |
| 3 | 65 | 0.30 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2025 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4Q7C · Structure of AF2299, a CDP-alcohol phosphotransferase · the same entry in another collection · chain A against A, TM-score 1.00
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 O27985
- Elsewhere: RCSB PDB 4Q7C · PDBe 4Q7C · UniProt O27985
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