MolNFT v1 · #97460 · protein
Crystal structure of ampc beta-lactamase N152G mutant in complex with cefoxitin
4KEN: “Crystal structure of ampc beta-lactamase N152G mutant in complex with cefoxitin”. X-ray diffraction, 2 ligands (1S7, PO4), 3 pockets (best druggability 0.69). MolNFT v1 #97460 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4KEN
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P00811
- Ligands
- 1S7, PO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Beta-lactamase (EC 3.5.2.6) | protein | 358 | 41% helix, 24% strand | P00811 |
Ligands and binding sites
- 1S7 · (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl) amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid · ligand · chains B
- PO4 · Phosphate ion · ion · 2 copies · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.69 | 0.83 | 53 | 1S7 |
| 2 | 70 | 0.30 | 0.74 | 18 | PO4 |
| 3 | 53 | 0.25 | 0.72 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4KEN · Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin · the same entry in another collection · chain B against B, TM-score 1.00
- P00811 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00811) · a predicted model of the same protein · chain B against A, TM-score 1.00
- 1L2S · X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a… · a predicted model of the same protein · chain B against B, TM-score 1.00
- 1L2S · X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with a… · a predicted model of the same protein · chain B against B, 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 P00811
- Elsewhere: RCSB PDB 4KEN · PDBe 4KEN · UniProt P00811
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.