MolNFT v1 · #141632 · protein
The structure of holo- structure of dhad complex with [2FE-2S] cluster
5ZE4 · Dihydroxy-acid dehydratase, chloroplastic: “The structure of holo- structure of dhad complex with [2FE-2S] cluster”. X-ray diffraction, 3 ligands (FES, MG, SO4), 5 pockets (best druggability 0.75). MolNFT v1 #141632 on GenesisL1: 3D…
- PDB
- 5ZE4
- Type
- protein
- Length
- 569 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroxy-acid dehydratase, chloroplastic
- EC
- 4.2.1.9
- UniProt
- Q9LIR4
- Ligands
- FES, MG, SO4
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroxy-acid dehydratase, chloroplastic (EC 4.2.1.9) | protein | 569 | 42% helix, 13% strand | Q9LIR4 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- ACT · Acetate ion · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 576 | 0.75 | 0.82 | 77 | FES, ACT |
| 2 | 53 | 0.33 | 0.78 | 10 | empty |
| 3 | 50 | 0.33 | 0.78 | 15 | empty |
| 4 | 56 | 0.29 | 0.75 | 15 | empty |
| 5 | 51 | 0.28 | 0.75 | 12 | empty |
Compared structures
- 5ZE4 · The structure of holo- structure of DHAD complex with [2Fe-2S] cluster · the same entry in another collection · chain A against A, TM-score 1.00
- Q9LIR4 · AlphaFold monomer V2.0 prediction for dihydroxy-acid dehydratase, chloroplastic (Q9LIR4) · a predicted model of the same protein · 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 Q9LIR4
- Elsewhere: RCSB PDB 5ZE4 · PDBe 5ZE4 · UniProt Q9LIR4
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