MolNFT v1 · #118725 · protein
Oxa-48 in complex with fpi-1465
5FAQ · Beta-lactamase: “Oxa-48 in complex with fpi-1465”. X-ray diffraction, 4 ligands (5VW, CO, CD), 1 pocket (best druggability 0.77). MolNFT v1 #118725 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5FAQ
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q6XEC0
- Ligands
- 5VW, CO, CD, CL
- Pockets
- 1 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase (EC 3.5.2.6) | protein | 241 | 40% helix, 22% strand | Q6XEC0 |
Ligands and binding sites
- 5VW · [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 6 copies · chains B, A
- CD · Cadmium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 828 | 0.77 | 0.81 | 110 | CL, 5VW |
Interfaces
1 interface between chains.
- A–B · 958 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5FAQ · OXA-48 in complex with FPI-1465 · the same entry in another collection · chain B against B, 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 Q6XEC0
- Elsewhere: RCSB PDB 5FAQ · PDBe 5FAQ · UniProt Q6XEC0
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