MolNFT v1 · #119258 · protein
W229D mutant of the last common ancestor of gram-negative bacteria (gnca) beta-lactamase bound to 5(6)-nitrobenzotriazole (ts-analog)
5FQJ · Gnca lactamase W229D: “W229D mutant of the last common ancestor of gram-negative bacteria (gnca) beta-lactamase bound to…”. X-ray diffraction, 1 ligand (6NT), 2 pockets (best druggability 0.49). MolNFT v1 #119258 on GenesisL1: 3D…
- PDB
- 5FQJ
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gnca lactamase W229D
- EC
- 3.5.2.6
- Ligands
- 6NT
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gnca lactamase W229D (EC 3.5.2.6) | protein | 265 | 46% helix, 18% strand | — |
Ligands and binding sites
- 6NT · 6-nitrobenzotriazole · ligand · 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 | 60 | 0.49 | 0.84 | 12 | 6NT |
| 2 | 83 | 0.32 | 0.74 | 19 | empty |
Compared structures
- 5FQJ · W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase… · 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 5FQJ · PDBe 5FQJ
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