MolNFT v1 · #168022 · protein
Crystal structure of class a beta-lactamase from bacillus cereus in the complex with the beta-lactamase inhibitor clavulanate
6W33: “Crystal structure of class a beta-lactamase from bacillus cereus in the complex with the beta-lactamase…”. X-ray diffraction, 2 ligands (CL, SO4), 1 pocket (best druggability 0.67). MolNFT v1 #168022 on GenesisL1: 3D structure…
- PDB
- 6W33
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A5B7VP54
- Ligands
- CL, SO4
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase (EC 3.5.2.6) | protein | 261 | 46% helix, 19% strand | A0A5B7VP54 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 570 | 0.67 | 0.77 | 67 | EDO, GOL |
Interfaces
1 interface between chains.
- A–B · 614 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6W33 · Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the… · 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 A0A5B7VP54
- Elsewhere: RCSB PDB 6W33 · PDBe 6W33 · UniProt A0A5B7VP54
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