MolNFT v1 · #119250 · protein
Crystal structure of bacillus cereus metallo-beta-lactamase with 2C
5FQB · Beta-lactamase 2: “Crystal structure of bacillus cereus metallo-beta-lactamase with 2C”. X-ray diffraction, 3 ligands (OK3, ZN, SO4), 1 pocket (best druggability 0.44). MolNFT v1 #119250 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5FQB
- Type
- protein
- Length
- 219 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase 2
- EC
- 3.5.2.6
- UniProt
- P04190
- Ligands
- OK3, ZN, SO4
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase 2 (EC 3.5.2.6) | protein | 219 | 26% helix, 32% strand | P04190 |
Ligands and binding sites
- OK3 · (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.44 | 0.77 | 24 | ZN, OK3 |
Compared structures
- 5FQB · Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C · the same entry in another collection · chain A against A, TM-score 1.00
- P04190 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (P04190) · a predicted model of the same protein · 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 P04190
- Elsewhere: RCSB PDB 5FQB · PDBe 5FQB · UniProt P04190
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