MolNFT v1 · #165480 · protein
Variant W229D/F290W-19 of the last common ancestor of gram-negative bacteria beta-lactamase class a (GNCA4)
6TWW · Beta-lactamase (GNCA4): “Variant W229D/F290W-19 of the last common ancestor of gram-negative bacteria beta-lactamase class a (GNCA4)”. X-ray diffraction, 2 ligands (MG, NA), 2 pockets (best druggability 0.48). MolNFT v1 #165480 on…
- PDB
- 6TWW
- Type
- protein
- Length
- 266 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase (GNCA4)
- Ligands
- MG, NA
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (GNCA4) | protein | 266 | 44% helix, 17% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- FMT · Formic acid · additive · 6 copies · chains A
- ACT · Acetate ion · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.48 | 0.84 | 20 | ACT |
| 2 | 56 | 0.31 | 0.77 | 17 | GOL |
Compared structures
- 6TWW · Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria… · 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
- Elsewhere: RCSB PDB 6TWW · PDBe 6TWW
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