MolNFT v1 · #46969 · protein
Crystal structure of dimeric form of pffabz in crystal FORM2
2OKI · Beta-hydroxyacyl-acp dehydratase: “Crystal structure of dimeric form of pffabz in crystal FORM2”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #46969 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OKI
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hydroxyacyl-acp dehydratase
- EC
- 4.2.1.60
- UniProt
- Q965D7
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-hydroxyacyl-acp dehydratase (EC 4.2.1.60) | protein | 126 | 13% helix, 44% strand | Q965D7 |
| B | Beta-hydroxyacyl-acp dehydratase (EC 4.2.1.60) | protein | 118 | 14% helix, 45% strand | Q965D7 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.69 | 0.86 | 38 | empty |
| 2 | 135 | 0.59 | 0.84 | 25 | empty |
| 3 | 84 | 0.39 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 974 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2OKI · Crystal structure of dimeric form of PfFabZ in crystal form2 · 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 Q965D7
- Elsewhere: RCSB PDB 2OKI · PDBe 2OKI · UniProt Q965D7
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