MolNFT v1 · #13390 · protein
Fez-1-Y228A, a mutant of the metallo-beta-lactamase from legionella gormanii
1L9Y · Fez-1 B-lactamase: “Fez-1-Y228A, a mutant of the metallo-beta-lactamase from legionella gormanii”. X-ray diffraction, 3 ligands (ZN, SO4, CL), 4 pockets (best druggability 0.63). MolNFT v1 #13390 on GenesisL1: 3D structure, binding…
- PDB
- 1L9Y
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fez-1 B-lactamase
- EC
- 3.5.2.6
- UniProt
- Q9K578
- Ligands
- ZN, SO4, CL
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fez-1 B-lactamase (EC 3.5.2.6) | protein | 263 | 33% helix, 26% strand | Q9K578 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.63 | 0.75 | 60 | GOL |
| 2 | 134 | 0.62 | 0.86 | 30 | empty |
| 3 | 99 | 0.40 | 0.76 | 23 | ZN, CL, SO4 |
| 4 | 73 | 0.38 | 0.78 | 25 | ZN, SO4 |
Interfaces
1 interface between chains.
- A–B · 556 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1L9Y · FEZ-1-Y228A, A Mutant of the Metallo-beta-lactamase from Legionella gormanii · 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 Q9K578
- Elsewhere: RCSB PDB 1L9Y · PDBe 1L9Y · UniProt Q9K578
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