Research workbench
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution
Analyse Crystal structure of the complex of Phosphopantetheine adenylyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A7D
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.74
- Source
- Acinetobacter baumannii (strain ACICU)
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- B2HUN5
- Ligands
- COD, MG, CL, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · resolution 2.74 · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 163 | 45% helix, 17% strand | B2HUN5 |
Ligands and binding sites
- COD · Dephospho coenzyme A · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · 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 | 418 | 0.66 | 0.79 | 48 | MG, COD, CL |
Compared structures
- 6A7D · Crystal structure of the complex of phosphopantetheine adenylyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00
- B2HUN5 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (B2HUN5) · 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 B2HUN5
- Elsewhere: RCSB PDB 6A7D · PDBe 6A7D · UniProt B2HUN5
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