MolNFT v2 · #157887 · protein
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae
6MGX · Metallo-beta-lactamase: “Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae”. X-ray diffraction at 2.6, 2 ligands (ZN, SO4), 4 pockets (best druggability 0.78). MolNFT v2 #157887 on GenesisL1…
- PDB
- 6MGX
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- Escherichia coli
- Molecule
- Metallo-beta-lactamase
- UniProt
- G9JVE6
- Ligands
- ZN, SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.6 · 2 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallo-beta-lactamase | protein | 227 | 24% helix, 30% strand | G9JVE6 |
| B | Metallo-beta-lactamase | protein | 227 | 25% helix, 32% strand | G9JVE6 |
Ligands and binding sites
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 | 102 | 0.78 | 0.98 | 22 | empty |
| 2 | 116 | 0.57 | 0.85 | 32 | empty |
| 3 | 92 | 0.35 | 0.75 | 24 | SO4 |
| 4 | 65 | 0.26 | 0.72 | 18 | ZN, SO4 |
Interfaces
1 interface between chains.
- A–B · 961 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6MGX · Crystal structure of the new deli metallo beta lactamase variant 6 klebsiella pneumoniae · 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 G9JVE6
- Elsewhere: RCSB PDB 6MGX · PDBe 6MGX · UniProt G9JVE6
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