Research workbench
Structure of AF2299, a cdp-alcohol phosphotransferase (cmp-bound)
Analyse Structure of AF2299, a cdp-alcohol phosphotransferase (cmp-bound) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4O6M
- Type
- protein
- Length
- 671 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, C5P, CA, SO4
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AF2299, a cdp-alcohol phosphotransferase | protein | 330 | 59% helix, 13% strand | O27985 |
| B | AF2299, a cdp-alcohol phosphotransferase | protein | 341 | 58% helix, 13% strand | O27985 |
Ligands and binding sites
- MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 24 copies · chains A, B
- C5P · Cytidine-5'-monophosphate · ligand · chains B
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 780 | 0.80 | 0.83 | 85 | SO4, C5P |
| 2 | 584 | 0.68 | 0.78 | 54 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2029 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4O6M · Structure of AF2299, a CDP-alcohol phosphotransferase (CMP-bound) · 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 4O6M · PDBe 4O6M · UniProt O27985
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