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Crystal structure of alkyl hydroperoxidase D (ahpd) from streptococcus pneumoniae (strain D39/ nctc 7466)

Analyse Crystal structure of alkyl hydroperoxidase D (ahpd) from streptococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6E8L
Type
protein
Length
1,087 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alkyl hydroperoxide reductase ahpd
EC
1.11.1.15
UniProt
A0A0H2ZNM1
Pockets
14 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DAlkyl hydroperoxide reductase ahpd (EC 1.11.1.15)protein18068% helix, 0% strandA0A0H2ZNM1
B, C, FAlkyl hydroperoxide reductase ahpd (EC 1.11.1.15)protein18268% helix, 0% strandA0A0H2ZNM1
EAlkyl hydroperoxide reductase ahpd (EC 1.11.1.15)protein18169% helix, 0% strandA0A0H2ZNM1

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16900.790.8371empty
23560.750.8636empty
33460.740.8532empty
44180.730.8331empty
53620.730.8435empty

Interfaces

8 interfaces between chains.

  • C–E · 2077 Ų buried · 20 hydrogen bonds · protein-protein
  • D–F · 2067 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 2052 Ų buried · 17 hydrogen bonds · protein-protein
  • A–D · 422 Ų buried · 3 hydrogen bonds · protein-protein
  • B–F · 392 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6E8L · Crystal Structure of Alkyl hydroperoxidase D (AhpD) from Streptococcus pneumoniae (Strain… · the same entry in another collection · chain A against A, TM-score 1.00

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