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Crystal structure of the N-terminal lg-domain of shbg in complex with 5ALPHA-androstane-3BETA,17BETA-diol

Analyse Crystal structure of the N-terminal lg-domain of shbg in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LHO
Type
protein
Length
176 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sex hormone-binding globulin
UniProt
P04278
Ligands
AOM, CA
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASex hormone-binding globulinprotein1765% helix, 48% strandP04278

Ligands and binding sites

  • AOM · 5-alpha-androstane-3-beta,17beta-diol · ligand · chains A
  • CA · Calcium ion · metal · 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
11750.830.9725AOM

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1LHO · Crystal structure of the N-terminal lg-domain of shbg in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P04278 · AlphaFold monomer V2.0 prediction for sex hormone-binding globulin (P04278) · a predicted model of the same protein · chain A against A, TM-score 0.97

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