MolNFT v1 · #157377 · protein
Lasr lbd T75V/Y93F/A127W:BB0126
6MWZ · Transcriptional regulator lasr: “Lasr lbd T75V/Y93F/A127W:BB0126”. X-ray diffraction, 1 ligand (K5M), 3 pockets (best druggability 0.72). MolNFT v1 #157377 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MWZ
- Type
- protein
- Length
- 323 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator lasr; Ala-his-his-his-his-ala
- UniProt
- A0A0H2Z901
- Ligands
- K5M
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator lasr | protein | 162 | 55% helix, 17% strand | A0A0H2Z901 |
| B | Transcriptional regulator lasr | protein | 155 | 54% helix, 19% strand | A0A0H2Z901 |
| M | Ala-his-his-his-his-ala | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- K5M · 4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.72 | 0.87 | 30 | K5M |
| 2 | 198 | 0.68 | 0.85 | 26 | K5M |
| 3 | 106 | 0.38 | 0.75 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 864 Ų buried · 13 hydrogen bonds · protein-protein
- A–M · 416 Ų buried · 4 hydrogen bonds · protein-protein
- B–M · 148 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6MWZ · LasR LBD T75V/Y93F/A127W:BB0126 · 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 A0A0H2Z901
- Elsewhere: RCSB PDB 6MWZ · PDBe 6MWZ · UniProt A0A0H2Z901
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