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MolNFT v1 · #39417 · protein

Crystal structure of a putative pyridoxamine 5'-phosphate oxidase (LDB0262) from lactobacillus delbrueckii subsp. at 1.60 a resolution

2HTD · Predicted flavin-nucleotide-binding protein from COG3576…: “Crystal structure of a putative pyridoxamine 5'-phosphate oxidase (LDB0262) from lactobacillus delbrueckii…”. X-ray diffraction, 2 ligands (SO4, CL), 2 pockets (best…

PDB
2HTD
Type
protein
Length
245 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Predicted flavin-nucleotide-binding protein from COG3576 family structurally related to…
UniProt
Q1GBW8
Ligands
SO4, CL
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APredicted flavin-nucleotide-binding protein from COG3576 family structurally related to pyridoxine 5'-phosphate oxidaseprotein12119% helix, 44% strandQ1GBW8
BPredicted flavin-nucleotide-binding protein from COG3576 family structurally related to pyridoxine 5'-phosphate oxidaseprotein12419% helix, 43% strandQ1GBW8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.680.8928SO4
21720.440.7527SO4

Interfaces

1 interface between chains.

  • A–B · 1100 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 2HTD · Crystal structure of a putative pyridoxamine 5'-phosphate oxidase (LDB0262) from… · the same entry in another collection · chain A against A, TM-score 1.00

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