MolNFT v1 · #127478 · protein
Crystal structure of the acquired vim-2 metallo-beta-lactamase in complex with ant-330 inhibitor
5MXR · Beta-lactamase vim-2: “Crystal structure of the acquired vim-2 metallo-beta-lactamase in complex with ant-330 inhibitor”. X-ray diffraction, 2 ligands (JTY, ZN), 1 pocket (best druggability 0.36). MolNFT v1 #127478 on GenesisL1: 3D…
- PDB
- 5MXR
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase vim-2
- UniProt
- Q9K2N0
- Ligands
- JTY, ZN
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase vim-2 | protein | 232 | 27% helix, 29% strand | Q9K2N0 |
Ligands and binding sites
- JTY · 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid · ligand · 2 copies · chains A
- ZN · Zinc ion · metal · 3 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.36 | 0.75 | 18 | ZN, JTY |
Compared structures
- 5MXR · Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330… · 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 Q9K2N0
- Elsewhere: RCSB PDB 5MXR · PDBe 5MXR · UniProt Q9K2N0
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