MolNFT v1 · #70835 · protein
Crystal structure of putative transcriptional regulator (NP_470886.1) from listeria innocua at 2.06 a resolution
3LWF: “Crystal structure of putative transcriptional regulator (NP_470886.1) from listeria innocua at 2.06 a…”. X-ray diffraction, 2 ligands (SO4, CL), 5 pockets (best druggability 0.69). MolNFT v1 #70835 on GenesisL1: 3D structure…
- PDB
- 3LWF
- Type
- protein
- Length
- 576 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator
- UniProt
- Q92BJ8
- Ligands
- SO4, CL
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative transcriptional regulator | protein | 144 | 49% helix, 8% strand | Q92BJ8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 19 copies · chains A, B, C, D
- CL · Chloride ion · ion · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 669 | 0.69 | 0.77 | 77 | SO4 |
| 2 | 398 | 0.62 | 0.77 | 49 | SO4 |
| 3 | 242 | 0.53 | 0.77 | 46 | empty |
| 4 | 203 | 0.48 | 0.75 | 32 | SO4, CL |
| 5 | 207 | 0.48 | 0.75 | 32 | SO4, CL |
Interfaces
5 interfaces between chains.
- B–D · 3358 Ų buried · 53 hydrogen bonds · protein-protein
- A–B · 447 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 423 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 281 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 276 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3LWF · Crystal structure of Putative transcriptional regulator (NP_470886.1) from LISTERIA… · 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 Q92BJ8
- Elsewhere: RCSB PDB 3LWF · PDBe 3LWF · UniProt Q92BJ8
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