MolNFT v1 · #67392 · protein
1.8 ångström resolution crystal structure of cytosol aminopeptidase from coxiella burnetii
3IJ3: “1.8 ångström resolution crystal structure of cytosol aminopeptidase from coxiella burnetii”. X-ray diffraction, 3 ligands (LI, SO4, CL), 4 pockets (best druggability 0.75). MolNFT v1 #67392 on GenesisL1: 3D structure, binding sites…
- PDB
- 3IJ3
- Type
- protein
- Length
- 457 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosol aminopeptidase
- EC
- 3.4.11.1
- UniProt
- Q83DX0
- Ligands
- LI, SO4, CL
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosol aminopeptidase (EC 3.4.11.1) | protein | 457 | 39% helix, 21% strand | Q83DX0 |
Ligands and binding sites
- LI · Lithium ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.75 | 0.89 | 33 | empty |
| 2 | 221 | 0.57 | 0.79 | 39 | SO4 |
| 3 | 83 | 0.37 | 0.76 | 17 | empty |
| 4 | 58 | 0.27 | 0.73 | 18 | empty |
Compared structures
- 3IJ3 · 1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii · 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 Q83DX0
- Elsewhere: RCSB PDB 3IJ3 · PDBe 3IJ3 · UniProt Q83DX0
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