MolNFT v1 · #158067 · protein
Crystal structure of class a beta-lactamase from clostridium kluyveri dsm 555
6NJ1: “Crystal structure of class a beta-lactamase from clostridium kluyveri dsm 555”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.39). MolNFT v1 #158067 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NJ1
- Type
- protein
- Length
- 262 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A5N1B8
- Ligands
- CL
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 262 | 45% helix, 18% strand | A5N1B8 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · 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 | 56 | 0.39 | 0.81 | 20 | empty |
| 2 | 68 | 0.28 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 6NJ1 · Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555 · 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 A5N1B8
- Elsewhere: RCSB PDB 6NJ1 · PDBe 6NJ1 · UniProt A5N1B8
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