MolNFT v1 · #93831 · protein
Structure of avibactam bound to pseudomonas aeruginosa ampc
4HEF · Beta-lactamase: “Structure of avibactam bound to pseudomonas aeruginosa ampc”. X-ray diffraction, 1 ligand (NXL), 2 pockets (best druggability 0.57). MolNFT v1 #93831 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HEF
- Type
- protein
- Length
- 360 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P24735
- Ligands
- NXL
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 360 | 43% helix, 23% strand | P24735 |
Ligands and binding sites
- NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide · ligand · chains A
- GOL · Glycerol · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.57 | 0.78 | 40 | NXL |
| 2 | 77 | 0.35 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 P24735
- Elsewhere: RCSB PDB 4HEF · PDBe 4HEF · UniProt P24735
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