MolNFT v1 · #119257 · protein
W229D and F290W mutant of the last common ancestor of gram-negative bacteria (GNCA4) beta-lactamase class a
5FQI · GNCA4 lactamase W229D and F290W: “W229D and F290W mutant of the last common ancestor of gram-negative bacteria (GNCA4) beta-lactamase class a”. X-ray diffraction, 2 pockets (best druggability 0.44). MolNFT v1 #119257 on GenesisL1…
- PDB
- 5FQI
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GNCA4 lactamase W229D and F290W
- EC
- 3.5.2.6
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GNCA4 lactamase W229D and F290W (EC 3.5.2.6) | protein | 263 | 44% helix, 17% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- PGE · Triethylene glycol · 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 | 59 | 0.44 | 0.82 | 14 | empty |
| 2 | 57 | 0.28 | 0.75 | 17 | EDO |
Compared structures
- 5FQI · W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4)… · 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 5FQI · PDBe 5FQI
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