MolNFT v1 · #124701 · protein
TOHO1 beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
5KMW · Beta-lactamase toho-1: “TOHO1 beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex”. X-ray diffraction, 3 ligands (PNN, PNM, SO4). MolNFT v1 #124701 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KMW
- Type
- protein
- Length
- 256 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase toho-1
- EC
- 3.5.2.6
- UniProt
- Q47066
- Ligands
- PNN, PNM, SO4
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase toho-1 (EC 3.5.2.6) | protein | 256 | 43% helix, 18% strand | Q47066 |
Ligands and binding sites
- PNN · Penicillin G · ligand · 2 copies · chains A
- PNM · Open form - penicillin G · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5KMW · TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q47066 · AlphaFold monomer V2.0 prediction for beta-lactamase toho-1 (Q47066) · a predicted model of the same protein · 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 Q47066
- Elsewhere: RCSB PDB 5KMW · PDBe 5KMW · UniProt Q47066
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