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Sex hormone-binding globulin mutant E176K in complex with dvt

Analyse Sex hormone-binding globulin mutant E176K in complex with dvt in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PYB
Type
protein
Length
172 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sex hormone-binding globulin
UniProt
P04278
Ligands
P5G, CA
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASex hormone-binding globulinprotein1727% helix, 49% strandP04278

Ligands and binding sites

  • P5G · 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol) · 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
12640.720.8636P5G

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6PYB · Sex Hormone-binding globulin mutant E176K in complex with DVT · 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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