Research workbench
Crystal structure of dihydropteroate synthase from klebsiella pneumoniae subsp.
Analyse Crystal structure of dihydropteroate synthase from klebsiella pneumoniae subsp. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UMG
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- A6TEJ6
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 256 | 47% helix, 15% strand | A6TEJ6 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 256 | 49% helix, 15% strand | A6TEJ6 |
Ligands and binding sites
- GOL · Glycerol · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.51 | 0.81 | 33 | GOL |
| 2 | 162 | 0.48 | 0.77 | 34 | empty |
| 3 | 67 | 0.31 | 0.75 | 18 | empty |
| 4 | 57 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1380 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 5UMG · Crystal structure of dihydropteroate synthase from Klebsiella pneumoniae subsp. · 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 A6TEJ6
- Elsewhere: RCSB PDB 5UMG · PDBe 5UMG · UniProt A6TEJ6
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