MolNFT v1 · #93381 · protein
Crystal structure of acetate kinase from cryptococcus neoformans
4H0P: “Crystal structure of acetate kinase from cryptococcus neoformans”. X-ray diffraction, 13 pockets (best druggability 0.84). MolNFT v1 #93381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4H0P
- Type
- protein
- Length
- 861 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate kinase
- EC
- 2.7.2.1
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetate kinase (EC 2.7.2.1) | protein | 431 | 39% helix, 21% strand | — |
| B | Acetate kinase (EC 2.7.2.1) | protein | 430 | 40% helix, 21% strand | — |
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.84 | 0.96 | 48 | empty |
| 2 | 861 | 0.74 | 0.78 | 80 | empty |
| 3 | 457 | 0.66 | 0.79 | 42 | empty |
| 4 | 146 | 0.55 | 0.81 | 24 | empty |
| 5 | 193 | 0.51 | 0.76 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2897 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 4H0P · Crystal Structure of Acetate Kinase from Cryptococcus neoformans · 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
- Elsewhere: RCSB PDB 4H0P · PDBe 4H0P
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