MolNFT v1 · #104515 · protein
Structure of adc-68, a novel carbapenem-hydrolyzing class C extended- spectrum -lactamase from acinetobacter baumannii
4QD4 · Beta-lactamase adc-68: “Structure of adc-68, a novel carbapenem-hydrolyzing class C extended- spectrum -lactamase from acinetobacter…”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #104515 on GenesisL1: 3D…
- PDB
- 4QD4
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase adc-68
- UniProt
- R4NH29
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase adc-68 | protein | 357 | 42% helix, 20% strand | R4NH29 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.56 | 0.77 | 38 | MES, CIT |
| 2 | 247 | 0.53 | 0.76 | 39 | MES, CIT |
| 3 | 126 | 0.40 | 0.75 | 32 | empty |
| 4 | 119 | 0.38 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 12 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4QD4 · Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase… · 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 R4NH29
- Elsewhere: RCSB PDB 4QD4 · PDBe 4QD4 · UniProt R4NH29
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