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Crystal structure of phosphopantetheine adenylyltransferase from burkholderia pseudomallei with hydrolyzed 3'-dephospho coenzyme a
Analyse Crystal structure of phosphopantetheine adenylyltransferase from burkholderia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K9W
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- Q3JW91
- Ligands
- 4PS, ADE, SO4
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 163 | 46% helix, 18% strand | Q3JW91 |
Ligands and binding sites
- 4PS · 4'-diphospho pantetheine · ligand · chains A
- ADE · Adenine · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.68 | 0.79 | 47 | 4PS, ADE, ACT, SO4 |
Compared structures
- 3K9W · Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia… · the same entry in another collection · chain A against A, TM-score 1.00
- Q3JW91 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (Q3JW91) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q3JW91
- Elsewhere: RCSB PDB 3K9W · PDBe 3K9W · UniProt Q3JW91
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