MolNFT v1 · #158423 · protein
Crystal structure of synechocystis dihydroxyacid dehydratase (dhad)
6NTE · Dihydroxy-acid dehydratase: “Crystal structure of synechocystis dihydroxyacid dehydratase (dhad)”. X-ray diffraction, 5 pockets (best druggability 0.77). MolNFT v1 #158423 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6NTE
- Type
- protein
- Length
- 971 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroxy-acid dehydratase
- EC
- 4.2.1.9
- UniProt
- P74689
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroxy-acid dehydratase (EC 4.2.1.9) | protein | 486 | 39% helix, 17% strand | P74689 |
| B | Dihydroxy-acid dehydratase (EC 4.2.1.9) | protein | 485 | 40% helix, 18% strand | P74689 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.77 | 0.99 | 18 | empty |
| 2 | 532 | 0.70 | 0.80 | 65 | empty |
| 3 | 525 | 0.70 | 0.80 | 74 | empty |
| 4 | 288 | 0.58 | 0.78 | 36 | empty |
| 5 | 68 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2099 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6NTE · Crystal Structure of Synechocystis Dihydroxyacid Dehydratase (DHAD) · the same entry in another collection · chain B against B, TM-score 1.00
- P74689 · AlphaFold monomer V2.0 prediction for dihydroxy-acid dehydratase (P74689) · 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 P74689
- Elsewhere: RCSB PDB 6NTE · PDBe 6NTE · UniProt P74689
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