Research workbench

Sex hormone-binding globulin mutant E176K in complex with danazol

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

PDB: 6ULB
Type: protein
Length: 171 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sex hormone-binding globulin
UniProt: P04278
Ligands: QA1, CA
Pockets: 2 · best druggability 0.80

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sex hormone-binding globulin	protein	171	7% helix, 49% strand	P04278

Ligands and binding sites

QA1 · Danazol · 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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	233	0.80	0.93	34	QA1
2	65	0.31	0.75	19	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6ULB · Sex Hormone-binding globulin mutant E176K in complex with Danazol · 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 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P04278
Elsewhere: RCSB PDB 6ULB · PDBe 6ULB · UniProt P04278

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