MolNFT v1 · #112364 · protein
Crystal structure of P-acrylamido-phenylalanine modified TEM1 beta- lactamase from escherichia COLI : V216ACRF mutant
4ZJ1 · Beta-lactamase tem: “Crystal structure of P-acrylamido-phenylalanine modified TEM1 beta- lactamase from escherichia COLI…”. X-ray diffraction, 1 pocket (best druggability 0.42). MolNFT v1 #112364 on GenesisL1: 3D structure, binding…
- PDB
- 4ZJ1
- Type
- protein
- Length
- 266 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
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase tem (EC 3.5.2.6) | protein | 266 | 44% helix, 17% strand | P62593 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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 | 121 | 0.42 | 0.76 | 22 | MES |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 4ZJ1 · Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from… · 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 4ZJ1 · PDBe 4ZJ1 · UniProt P62593
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