MolNFT v1 · #181223 · protein
T4 lysozyme mutant L99A in complex with 2-butylthiophene
7LOF: “T4 lysozyme mutant L99A in complex with 2-butylthiophene”. X-ray diffraction, 1 ligand (Y8G), 2 pockets (best druggability 0.76). MolNFT v1 #181223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LOF
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysozyme
- EC
- 3.2.1.17
- UniProt
- D9IEF7
- Ligands
- Y8G
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme (EC 3.2.1.17) | protein | 163 | 67% helix, 9% strand | D9IEF7 |
Ligands and binding sites
- Y8G · 2-butylthiophene · ligand · chains A
- BME · Beta-mercaptoethanol · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.76 | 0.98 | 15 | Y8G |
| 2 | 250 | 0.55 | 0.77 | 29 | BME, TRS |
Compared structures
- 7LOF · T4 lysozyme mutant L99A in complex with 2-butylthiophene · 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 D9IEF7
- Elsewhere: RCSB PDB 7LOF · PDBe 7LOF · UniProt D9IEF7
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