MolNFT v1 · #53611 · protein
AMP-C beta-lactamase (pseudomonas AERUGINOSA)IN complex with compound M-02
2WZX: “AMP-C beta-lactamase (pseudomonas AERUGINOSA)IN complex with compound M-02”. X-ray diffraction, 2 ligands (ZX0, CL), 3 pockets (best druggability 0.59). MolNFT v1 #53611 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WZX
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P24735
- Ligands
- ZX0, CL
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 362 | 44% helix, 22% strand | P24735 |
Ligands and binding sites
- ZX0 · (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.59 | 0.78 | 36 | ZX0, CL |
| 2 | 70 | 0.34 | 0.76 | 16 | empty |
| 3 | 55 | 0.33 | 0.77 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2WZX · AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02 · the same entry in another collection · chain A against A, TM-score 1.00
- P24735 · AlphaFold monomer V2.0 prediction for beta-lactamase (P24735) · a predicted model of the same protein · 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 P24735
- Elsewhere: RCSB PDB 2WZX · PDBe 2WZX · UniProt P24735
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