MolNFT v1 · #179351 · protein
Crystal structure of ctx-M-14 E166A/K234R beta-lactamase
7K2X: “Crystal structure of ctx-M-14 E166A/K234R beta-lactamase”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #179351 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7K2X
- Type
- protein
- Length
- 2,079 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A2H4FY00
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F, G, H | Beta-lactamase (EC 3.5.2.6) | protein | 260 | 44% helix, 20% strand | A0A2H4FY00 |
| E | Beta-lactamase (EC 3.5.2.6) | protein | 259 | 43% helix, 20% strand | A0A2H4FY00 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1190 | 0.75 | 0.78 | 90 | empty |
| 2 | 753 | 0.75 | 0.80 | 76 | empty |
| 3 | 1191 | 0.74 | 0.78 | 84 | empty |
| 4 | 836 | 0.73 | 0.78 | 57 | empty |
| 5 | 1138 | 0.73 | 0.76 | 88 | empty |
Interfaces
17 interfaces between chains.
- A–C · 267 Ų buried · 3 hydrogen bonds · protein-protein
- E–G · 266 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 240 Ų buried · 4 hydrogen bonds · protein-protein
- E–H · 238 Ų buried · 3 hydrogen bonds · protein-protein
- F–G · 238 Ų buried · 3 hydrogen bonds · protein-protein
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 7K2X · PDBe 7K2X · UniProt A0A2H4FY00
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