MolNFT v1 · #35392 · protein
Crystal structure of project APE1968 from aeropyrum pernix K1
2E9Y · Carbamate kinase: “Crystal structure of project APE1968 from aeropyrum pernix K1”. X-ray diffraction, 10 pockets (best druggability 0.75). MolNFT v1 #35392 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2E9Y
- Type
- protein
- Length
- 625 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbamate kinase
- EC
- 2.7.2.2
- UniProt
- Q9YAH1
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbamate kinase (EC 2.7.2.2) | protein | 313 | 41% helix, 23% strand | Q9YAH1 |
| B | Carbamate kinase (EC 2.7.2.2) | protein | 312 | 42% helix, 21% strand | Q9YAH1 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.75 | 0.94 | 23 | empty |
| 2 | 464 | 0.62 | 0.76 | 62 | empty |
| 3 | 459 | 0.62 | 0.76 | 67 | empty |
| 4 | 148 | 0.54 | 0.81 | 29 | empty |
| 5 | 105 | 0.45 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2120 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 2E9Y · Crystal structure of project APE1968 from Aeropyrum pernix K1 · 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 Q9YAH1
- Elsewhere: RCSB PDB 2E9Y · PDBe 2E9Y · UniProt Q9YAH1
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