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MolNFT v1 · #77775 · protein

Crystal structure of mouse apolipoprotein a-I binding protein in complex with theophylline

3ROX · Apolipoprotein a-I-binding protein: “Crystal structure of mouse apolipoprotein a-I binding protein in complex with theophylline”. X-ray diffraction, 2 ligands (TEP, SO4), 1 pocket (best druggability 0.71). MolNFT v1 #77775 on…

PDB
3ROX
Type
protein
Length
233 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apolipoprotein a-I-binding protein
UniProt
Q8K4Z3
Ligands
TEP, SO4
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApolipoprotein a-I-binding proteinprotein23339% helix, 16% strandQ8K4Z3

Ligands and binding sites

  • TEP · Theophylline · ligand · chains A
  • SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.710.8828SO4, TEP

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 3ROX · Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Theophylline · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8K4Z3 · AlphaFold monomer V2.0 prediction for NAD(P)H-hydrate epimerase (Q8K4Z3) · a predicted model of the same protein · chain A against A, TM-score 1.00

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