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Crystal structure of ctx-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
Analyse Crystal structure of ctx-M-14 E166A/D240G beta-lactamase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6V7T
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q9L5C7
- Ligands
- CAZ
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 264 | 44% helix, 19% strand | Q9L5C7 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 262 | 44% helix, 19% strand | Q9L5C7 |
Ligands and binding sites
- CAZ · Acylated ceftazidime · ligand · 2 copies · chains A, B
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 | 1157 | 0.78 | 0.80 | 109 | CAZ |
| 2 | 50 | 0.37 | 0.81 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 604 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6V7T · Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime · 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 Q9L5C7
- Elsewhere: RCSB PDB 6V7T · PDBe 6V7T · UniProt Q9L5C7
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