MolNFT v1 · #123963 · protein
Crystal structure of the metallo-beta-lactamase gob-18 from elizabethkingia meningoseptica
5K0W · Class B carbapenemase gob-18: “Crystal structure of the metallo-beta-lactamase gob-18 from elizabethkingia meningoseptica”. X-ray diffraction, 2 ligands (ZN, CL), 3 pockets (best druggability 0.40). MolNFT v1 #123963 on GenesisL1…
- PDB
- 5K0W
- Type
- protein
- Length
- 541 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class B carbapenemase gob-18
- UniProt
- Q4JRB6
- Ligands
- ZN, CL
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Class B carbapenemase gob-18 | protein | 270 | 32% helix, 23% strand | Q4JRB6 |
| B | Class B carbapenemase gob-18 | protein | 271 | 32% helix, 23% strand | Q4JRB6 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 8 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.40 | 0.74 | 24 | empty |
| 2 | 87 | 0.35 | 0.75 | 22 | ZN |
| 3 | 95 | 0.35 | 0.74 | 20 | ZN |
Interfaces
1 interface between chains.
- A–B · 157 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5K0W · Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica · 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 Q4JRB6
- Elsewhere: RCSB PDB 5K0W · PDBe 5K0W · UniProt Q4JRB6
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