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MolNFT v1 · #117303 · protein

Crystal structure of beta-lactamase SROS_5706 from streptosporangium roseum

5E43: “Crystal structure of beta-lactamase SROS_5706 from streptosporangium roseum”. X-ray diffraction, 1 ligand (NO3), 1 pocket (best druggability 0.30). MolNFT v1 #117303 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5E43
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
D2ARB3
Ligands
NO3
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein26844% helix, 18% strandD2ARB3

Ligands and binding sites

  • NO3 · Nitrate ion · ion · 2 copies · chains A
  • ACT · Acetate ion · additive · 17 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1790.300.7316ACT

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 5E43 · Crystal Structure of Beta-lactamase Sros_5706 from Streptosporangium roseum · the same entry in another collection · chain A against A, TM-score 1.00

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