MolNFT v1 · #142506 · protein
Crystal structure of the complex of phosphopantetheine adenylyltransferase from acinetobacter baumannii with dephospho coenzyme a at 2.90A resolution
6A6D: “Crystal structure of the complex of phosphopantetheine adenylyltransferase from acinetobacter baumannii with…”. X-ray diffraction, 3 ligands (COD, MG, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #142506 on GenesisL1: 3D…
- PDB
- 6A6D
- 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
- B2HUN5
- Ligands
- COD, MG, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 163 | 43% helix, 17% strand | B2HUN5 |
Ligands and binding sites
- COD · Dephospho coenzyme A · ligand · chains A
- MG · Magnesium ion · metal · 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 | 397 | 0.65 | 0.79 | 42 | COD, MG |
Compared structures
- 6A6D · 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 6A6D · PDBe 6A6D · UniProt B2HUN5
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