Research workbench
Molecular structure of the acyl-enzyme intermediate in tem-1 beta- lactamase
Analyse Molecular structure of the acyl-enzyme intermediate in tem-1 beta- lactamase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FQG
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tem-1 beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P62593
- Ligands
- PNM
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tem-1 beta-lactamase (EC 3.5.2.6) | protein | 263 | 45% helix, 17% strand | P62593 |
Ligands and binding sites
- PNM · Open form - penicillin G · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.36 | 0.79 | 20 | empty |
| 2 | 101 | 0.35 | 0.74 | 20 | PNM |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 1FQG · Molecular structure of the acyl-enzyme intermediate in tem-1 beta-lactamase · 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 0.99
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 P62593
- Elsewhere: RCSB PDB 1FQG · PDBe 1FQG · UniProt P62593
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