Research workbench
Crystal structure of pantothenate synthetase from M. tuberculosis, low occupancy of beta-alanine at the pantoate binding sites
Analyse Crystal structure of pantothenate synthetase from M. tuberculosis, low… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N2O
- Type
- protein
- Length
- 558 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate synthetase
- EC
- 6.3.2.1
- UniProt
- P0A5R0
- Ligands
- BAL, SO4
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate synthetase (EC 6.3.2.1) | protein | 279 | 42% helix, 24% strand | P0A5R0 |
| B | Pantothenate synthetase (EC 6.3.2.1) | protein | 279 | 42% helix, 24% strand | P0A5R0 |
Ligands and binding sites
- BAL · Beta-alanine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.83 | 0.89 | 58 | SO4, BAL |
| 2 | 672 | 0.78 | 0.83 | 66 | SO4, BAL |
| 3 | 267 | 0.58 | 0.78 | 36 | empty |
| 4 | 53 | 0.30 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1215 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 1N2O · Crystal Structure of Pantothenate Synthetase from M. tuberculosis, low occupancy of… · the same entry in another collection · chain A against A, TM-score 1.00
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 P0A5R0
- Elsewhere: RCSB PDB 1N2O · PDBe 1N2O · UniProt P0A5R0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.