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MolNFT v1 · #158031 · protein

Crystal structure of the beta lactamase class D ybxi from burkholderia thailandensis

6NI0 · Beta-lactamase: “Crystal structure of the beta lactamase class D ybxi from burkholderia thailandensis”. X-ray diffraction, 2 ligands (SO4, CL), 1 pocket (best druggability 0.55). MolNFT v1 #158031 on GenesisL1: 3D structure, binding…

PDB
6NI0
Type
protein
Length
246 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
A0A2Z4T9G7
Ligands
SO4, CL
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein24636% helix, 22% strandA0A2Z4T9G7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12670.550.7736CL, SO4

Modifications

Observed in the structure: 4 modified, 1 disulfide (engineered, disulfide).

Compared structures

  • 6NI0 · Crystal Structure of the Beta Lactamase Class D YbxI from Burkholderia thailandensis · the same entry in another collection · chain A against A, TM-score 1.00

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