Research workbench

Human serum albumin complexed with indoxyl sulfate

Analyse Human serum albumin complexed with indoxyl sulfate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2BXH
Type: protein
Length: 1,114 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: IOS
Pockets: 16 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Serum albumin	protein	557	72% helix, 0% strand	P02768

Ligands and binding sites

IOS · 3-sulfooxy-1H-indole · ligand · 4 copies · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	862	0.82	0.84	101	IOS
2	541	0.82	0.88	61	IOS
3	388	0.74	0.85	43	empty
4	134	0.68	0.89	27	IOS
5	125	0.67	0.89	27	IOS

Modifications

Observed in the structure: 32 disulfide (disulfide).

Compared structures

2BXH · Human serum albumin complexed with indoxyl sulfate · the same entry in another collection · chain A against A, TM-score 1.00
P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P02768
Elsewhere: RCSB PDB 2BXH · PDBe 2BXH · UniProt P02768

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