MolNFT v1 · #99821 · protein
Crystal structure of M68L/M69T double mutant tem-1
4MEZ · Beta-lactamase tem: “Crystal structure of M68L/M69T double mutant tem-1”. X-ray diffraction, 2 ligands (SO4, CL), 3 pockets (best druggability 0.66). MolNFT v1 #99821 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MEZ
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase tem
- EC
- 3.5.2.6
- UniProt
- P62593
- Ligands
- SO4, CL
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase tem (EC 3.5.2.6) | protein | 263 | 45% helix, 17% strand | P62593 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.66 | 0.82 | 35 | SO4 |
| 2 | 65 | 0.36 | 0.79 | 15 | empty |
| 3 | 78 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 392 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 4MEZ · PDBe 4MEZ · UniProt P62593
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