MolNFT v1 · #74435 · protein
X-ray structure of LIN1025 protein from listeria innocua, northeast structural genomics consortium target LKR164
3OWQ: “X-ray structure of LIN1025 protein from listeria innocua, northeast structural genomics consortium target…”. X-ray diffraction, 8 pockets (best druggability 0.86). MolNFT v1 #74435 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3OWQ
- Type
- protein
- Length
- 944 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LIN1025 protein
- UniProt
- Q92CZ6
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LIN1025 protein | protein | 237 | 37% helix, 28% strand | Q92CZ6 |
| B | LIN1025 protein | protein | 233 | 36% helix, 28% strand | Q92CZ6 |
| C | LIN1025 protein | protein | 237 | 38% helix, 24% strand | Q92CZ6 |
| D | LIN1025 protein | protein | 237 | 39% helix, 28% strand | Q92CZ6 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 677 | 0.86 | 0.90 | 58 | PEG |
| 2 | 637 | 0.85 | 0.89 | 59 | PEG |
| 3 | 873 | 0.85 | 0.86 | 84 | empty |
| 4 | 921 | 0.83 | 0.84 | 83 | PEG |
| 5 | 1133 | 0.75 | 0.78 | 93 | empty |
Interfaces
4 interfaces between chains.
- A–B · 555 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 543 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 502 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 247 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 3OWQ · X-Ray Structure of Lin1025 protein from Listeria innocua, Northeast Structural Genomics… · 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 Q92CZ6
- Elsewhere: RCSB PDB 3OWQ · PDBe 3OWQ · UniProt Q92CZ6
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