MolNFT v1 · #190097 · protein
Crystal structure of phosphopantetheine adenylyltransferase from klebsiella pneumoniae at 2.59 a resolution
7WGJ: “Crystal structure of phosphopantetheine adenylyltransferase from klebsiella pneumoniae at 2.59 a resolution”. X-ray diffraction, 5 pockets (best druggability 0.65). MolNFT v1 #190097 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7WGJ
- Type
- protein
- Length
- 477 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantetheine adenylyltransferase
- EC
- 2.7.7.3
- UniProt
- Q9XC89
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Phosphopantetheine adenylyltransferase (EC 2.7.7.3) | protein | 159 | 44% helix, 18% strand | Q9XC89 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.65 | 0.79 | 43 | empty |
| 2 | 347 | 0.64 | 0.79 | 37 | empty |
| 3 | 449 | 0.64 | 0.77 | 46 | EDO |
| 4 | 169 | 0.43 | 0.74 | 23 | empty |
| 5 | 55 | 0.28 | 0.74 | 12 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1195 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 245 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- Q9XC89 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (Q9XC89) · a predicted model of the same protein · chain C 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 Q9XC89
- Elsewhere: RCSB PDB 7WGJ · PDBe 7WGJ · UniProt Q9XC89
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