MolNFT v1 · #75572 · protein
Crystal structure of the complex of dhydrodipicolinate synthase from acinetobacter baumannii with lysine at 2.6A resolution
3PUE · Dihydrodipicolinate synthase: “Crystal structure of the complex of dhydrodipicolinate synthase from acinetobacter baumannii with lysine at…”. X-ray diffraction, 2 ligands (LYS, SO4), 2 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 3PUE
- Type
- protein
- Length
- 582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrodipicolinate synthase
- EC
- 4.2.1.52
- UniProt
- D0CFC3
- Ligands
- LYS, SO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrodipicolinate synthase (EC 4.2.1.52) | protein | 291 | 49% helix, 14% strand | D0CFC3 |
Ligands and binding sites
- LYS · Lysine · ligand · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.77 | 0.83 | 85 | SO4, LYS, GOL |
| 2 | 97 | 0.49 | 0.81 | 23 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1521 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3PUE · Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter… · 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 D0CFC3
- Elsewhere: RCSB PDB 3PUE · PDBe 3PUE · UniProt D0CFC3
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