MolNFT v1 · #67874 · protein
X-ray crystal structure of the extended-spectrum ampc V298E mutant beta-lactamase at 2.64 ångström resolution
3IXD: “X-ray crystal structure of the extended-spectrum ampc V298E mutant beta-lactamase at 2.64 ångström resolution”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.74). MolNFT v1 #67874 on GenesisL1: 3D structure…
- PDB
- 3IXD
- Type
- protein
- Length
- 692 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P00811
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase (EC 3.5.2.6) | protein | 346 | 39% helix, 23% strand | P00811 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 881 | 0.74 | 0.78 | 72 | SO4 |
| 2 | 203 | 0.50 | 0.76 | 32 | empty |
| 3 | 91 | 0.41 | 0.78 | 23 | empty |
| 4 | 117 | 0.39 | 0.75 | 26 | SO4 |
| 5 | 104 | 0.38 | 0.75 | 23 | SO4 |
Interfaces
1 interface between chains.
- A–B · 484 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3IXD · X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64… · the same entry in another collection · chain A against A, TM-score 1.00
- 1L2S · X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a… · a predicted model of the same protein · chain B against A, TM-score 0.99
- 1L2S · X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with a… · a predicted model of the same protein · chain B against A, TM-score 0.99
- P00811 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00811) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P00811
- Elsewhere: RCSB PDB 3IXD · PDBe 3IXD · UniProt P00811
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