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Crystal structure of a pseudooxynicotine amine oxidase pnao from pseudomonas putida S16

Analyse Crystal structure of a pseudooxynicotine amine oxidase pnao from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7E7H
Type
protein
Length
863 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AMINO_OXIDASE domain-containing protein
UniProt
A0A0M3D0T5
Ligands
FAD
Pockets
5 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAMINO_OXIDASE domain-containing proteinprotein43536% helix, 24% strandA0A0M3D0T5
BAMINO_OXIDASE domain-containing proteinprotein42837% helix, 23% strandA0A0M3D0T5

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16970.860.9094FAD
26020.860.9177FAD
31890.520.7730empty
41840.500.7730empty
51000.460.8021empty

Interfaces

1 interface between chains.

  • A–B · 1534 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 7E7H · Crystal Structure of a pseudooxynicotine amine oxidase Pnao from Pseudomonas putida S16 · the same entry in another collection · chain A against A, TM-score 1.00

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