MolNFT v1 · #80611 · protein
The structure of a putative lipoprotein of unknown function from shewanella oneidensis.
3U24: “The structure of a putative lipoprotein of unknown function from shewanella oneidensis.”. X-ray diffraction, 2 ligands (ZN, CA), 3 pockets (best druggability 0.72). MolNFT v1 #80611 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3U24
- Type
- protein
- Length
- 546 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative lipoprotein
- UniProt
- Q8EE20
- Ligands
- ZN, CA
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative lipoprotein | protein | 546 | 72% helix, 2% strand | Q8EE20 |
Ligands and binding sites
- ZN · Zinc ion · metal · 11 copies · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- ACY · Acetic acid · additive · 6 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 866 | 0.72 | 0.77 | 57 | ACY, EDO |
| 2 | 444 | 0.62 | 0.77 | 59 | empty |
| 3 | 75 | 0.50 | 0.84 | 16 | empty |
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 3U24 · The structure of a putative lipoprotein of unknown function from Shewanella oneidensis. · 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 Q8EE20
- Elsewhere: RCSB PDB 3U24 · PDBe 3U24 · UniProt Q8EE20
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