MolNFT v1 · #18779 · protein
Tem-1 beta-lactamase in complex with a novel, core-disrupting, allosteric inhibitor
1PZO · Beta-lactamase tem: “Tem-1 beta-lactamase in complex with a novel, core-disrupting, allosteric inhibitor”. X-ray diffraction, 1 ligand (CBT), 1 pocket (best druggability 0.62). MolNFT v1 #18779 on GenesisL1: 3D structure, binding…
- PDB
- 1PZO
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase tem
- EC
- 3.5.2.6
- UniProt
- P62593
- Ligands
- CBT
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase tem (EC 3.5.2.6) | protein | 263 | 47% helix, 17% strand | P62593 |
Ligands and binding sites
- CBT · N,N-bis(4-chlorobenzyl)-1H-1,2,3,4-tetraazol-5-amine · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.62 | 0.78 | 42 | CBT |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1PZO · TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P62593 · AlphaFold monomer V2.0 prediction for beta-lactamase tem (P62593) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P62593
- Elsewhere: RCSB PDB 1PZO · PDBe 1PZO · UniProt P62593
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