MolNFT v1 · #22733 · protein
6 alpha hydroxymethyl penicilloic acid acylated on the tem- 1 beta-lactamase from escherichia COLI
1TEM · Tem-1 beta lactamase: “6 alpha hydroxymethyl penicilloic acid acylated on the tem- 1 beta-lactamase from escherichia COLI”. X-ray diffraction, 1 ligand (ALP), 2 pockets (best druggability 0.34). MolNFT v1 #22733 on GenesisL1: 3D…
- PDB
- 1TEM
- 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
- ALP
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tem-1 beta lactamase (EC 3.5.2.6) | protein | 263 | 44% helix, 17% strand | P62593 |
Ligands and binding sites
- ALP · 2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid · 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 | 53 | 0.34 | 0.79 | 19 | empty |
| 2 | 90 | 0.33 | 0.74 | 21 | ALP |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 1TEM · 6 alpha hydroxymethyl penicilloic acid acylated on the tem-1 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 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 P62593
- Elsewhere: RCSB PDB 1TEM · PDBe 1TEM · UniProt P62593
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