MolNFT v1 · #179352 · protein
Crystal structure of ctx-M-14 E166A/K234R beta-lactamase in complex with hydrolyzed ampicillin
7K2Y: “Crystal structure of ctx-M-14 E166A/K234R beta-lactamase in complex with hydrolyzed ampicillin”. X-ray diffraction, 1 ligand (AIX), 2 pockets (best druggability 0.36). MolNFT v1 #179352 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7K2Y
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A2H4FY00
- Ligands
- AIX
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 261 | 43% helix, 20% strand | A0A2H4FY00 |
Ligands and binding sites
- AIX · (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.36 | 0.79 | 18 | empty |
| 2 | 79 | 0.33 | 0.75 | 18 | AIX |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7K2Y · Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed… · 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 A0A2H4FY00
- Elsewhere: RCSB PDB 7K2Y · PDBe 7K2Y · UniProt A0A2H4FY00
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