MolNFT v1 · #141672 · protein
Crystal structure of beta-lactamase penp mutant E166Y
5ZFL: “Crystal structure of beta-lactamase penp mutant E166Y”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #141672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ZFL
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P00808
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 260 | 43% helix, 18% strand | P00808 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 257 | 44% helix, 19% strand | P00808 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1179 | 0.73 | 0.76 | 102 | EPE |
| 2 | 68 | 0.45 | 0.82 | 19 | empty |
| 3 | 62 | 0.43 | 0.82 | 17 | empty |
| 4 | 76 | 0.29 | 0.73 | 24 | EPE |
Interfaces
1 interface between chains.
- A–B · 597 Ų buried · 4 hydrogen bonds · protein-protein
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 P00808
- Elsewhere: RCSB PDB 5ZFL · PDBe 5ZFL · UniProt P00808
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