Research workbench
A catalytically-impaired class a beta-lactamase: 2 ångströms crystal structure and kinetics of the bacillus licheniformis E166A mutant
Analyse A catalytically-impaired class a beta-lactamase: 2 ångströms crystal structure… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MBL
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P00808
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase (EC 3.5.2.6) | protein | 256 | 44% helix, 19% strand | P00808 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.73 | 0.77 | 82 | empty |
| 2 | 88 | 0.48 | 0.82 | 18 | empty |
| 3 | 77 | 0.47 | 0.82 | 18 | empty |
| 4 | 86 | 0.31 | 0.73 | 19 | SO4 |
| 5 | 80 | 0.28 | 0.72 | 16 | SO4 |
Interfaces
1 interface between chains.
- A–B · 550 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1MBL · A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and… · the same entry in another collection · chain A against A, TM-score 1.00
- P00808 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00808) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00808
- Elsewhere: RCSB PDB 1MBL · PDBe 1MBL · UniProt P00808
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.