MolNFT v1 · #2084 · protein
Structure of a phosphonate-inhibited beta-lactamase. an analog of the tetrahedral transition STATE(SLASH) intermediate of beta-lactam hydrolysis
1BLH: “Structure of a phosphonate-inhibited beta-lactamase. an analog of the tetrahedral transition STATE(SLASH)…”. X-ray diffraction, 1 ligand (FOS), 1 pocket (best druggability 0.36). MolNFT v1 #2084 on GenesisL1: 3D structure, binding…
- PDB
- 1BLH
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P00807
- Ligands
- FOS
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 257 | 41% helix, 19% strand | P00807 |
Ligands and binding sites
- FOS · [[N-(benzyloxycarbonyl)amino]methyl]phosphate · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.36 | 0.74 | 17 | FOS |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1BLH · Structure of a phosphonate-inhibited beta-lactamase. an analog of the tetrahedral… · the same entry in another collection · chain A against A, TM-score 1.00
- P00807 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00807) · 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 P00807
- Elsewhere: RCSB PDB 1BLH · PDBe 1BLH · UniProt P00807
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