MolNFT v1 · #120315 · protein
Crystal structure of tla-3 extended-spectrum beta-lactamase in a complex with avibactam
5GWA: “Crystal structure of tla-3 extended-spectrum beta-lactamase in a complex with avibactam”. X-ray diffraction, 4 ligands (NXL, NA, SO4), 1 pocket (best druggability 0.45). MolNFT v1 #120315 on GenesisL1: 3D structure, binding sites…
- PDB
- 5GWA
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A0B6VPP7
- Ligands
- NXL, NA, SO4, CL
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 275 | 45% helix, 20% strand | A0A0B6VPP7 |
Ligands and binding sites
- NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide · ligand · chains A
- NA · Sodium ion · metal · 17 copies · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · 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 | 168 | 0.45 | 0.76 | 30 | NXL, CL, NA, GOL |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5GWA · Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam · the same entry in another collection · 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 A0A0B6VPP7
- Elsewhere: RCSB PDB 5GWA · PDBe 5GWA · UniProt A0A0B6VPP7
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