MolNFT v1 · #123981 · protein
Crystal structure of a class C beta LACTAMASE/COMPOUND2 complex
5K1F · Beta-lactamase: “Crystal structure of a class C beta LACTAMASE/COMPOUND2 complex”. X-ray diffraction, 2 ligands (IMP, CD), 1 pocket (best druggability 0.54). MolNFT v1 #123981 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5K1F
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q99QC1
- Ligands
- IMP, CD
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 358 | 41% helix, 20% strand | Q99QC1 |
Ligands and binding sites
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 | 223 | 0.54 | 0.78 | 38 | IMP |
Compared structures
- 5K1F · Crystal structure of a class C beta lactamase/compound2 complex · 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 Q99QC1
- Elsewhere: RCSB PDB 5K1F · PDBe 5K1F · UniProt Q99QC1
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