MolNFT v1 · #155150 · protein
Crystal structure of the complex of phosphopantetheine adenylyltransferase from acinetobacter baumannii with phosphonoacetate at 2.19 a resolution.
6KYG: “Crystal structure of the complex of phosphopantetheine adenylyltransferase from acinetobacter baumannii with…”. X-ray diffraction, 3 ligands (PAE, MG, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #155150 on GenesisL1: 3D…
- PDB
- 6KYG
- 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
- D0C9M9
- Ligands
- PAE, MG, SO4
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 163 | 42% helix, 17% strand | D0C9M9 |
Ligands and binding sites
- PAE · Phosphonoacetic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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 | 324 | 0.61 | 0.78 | 42 | SO4, PAE, MG |
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 D0C9M9
- Elsewhere: RCSB PDB 6KYG · PDBe 6KYG · UniProt D0C9M9
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