MolNFT v1 · #17969 · protein
Crystal structure of phosphopantothenoylcysteine synthetase
1P9O: “Crystal structure of phosphopantothenoylcysteine synthetase”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.75). MolNFT v1 #17969 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1P9O
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantothenoylcysteine synthetase
- EC
- 6.3.2.5
- UniProt
- Q9HAB8
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantothenoylcysteine synthetase (EC 6.3.2.5) | protein | 269 | 42% helix, 27% strand | Q9HAB8 |
| B | Phosphopantothenoylcysteine synthetase (EC 6.3.2.5) | protein | 280 | 39% helix, 26% strand | Q9HAB8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B, A
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 | 513 | 0.75 | 0.83 | 49 | SO4 |
| 2 | 442 | 0.69 | 0.81 | 43 | empty |
| 3 | 282 | 0.63 | 0.80 | 42 | empty |
| 4 | 81 | 0.39 | 0.77 | 21 | empty |
| 5 | 61 | 0.27 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2344 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 1P9O · Crystal Structure of Phosphopantothenoylcysteine Synthetase · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HAB8 · AlphaFold monomer V2.0 prediction for phosphopantothenate--cysteine ligase (Q9HAB8) · 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 Q9HAB8
- Elsewhere: RCSB PDB 1P9O · PDBe 1P9O · UniProt Q9HAB8
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