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MolNFT v1 · #157504 · protein

Crystal structure of class D beta-lactamase from sebaldella termitidis atcc 33386

6N1N: “Crystal structure of class D beta-lactamase from sebaldella termitidis atcc 33386”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.34). MolNFT v1 #157504 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6N1N
Type
protein
Length
248 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
D1ALR7
Ligands
SO4
Pockets
2 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein24838% helix, 23% strandD1ALR7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • GOL · Glycerol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.340.7514empty
2890.330.7419SO4

Modifications

Observed in the structure: 8 modified (engineered, carboxylation).

Compared structures

  • 6N1N · Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386 · the same entry in another collection · chain A against A, TM-score 1.00

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