MolNFT v1 · #90105 · protein

Human serum albumin complex with perfluorooctane sulfonate potassium

4E99: “Human serum albumin complex with perfluorooctane sulfonate potassium”. X-ray diffraction, 1 ligand (P8S), 6 pockets (best druggability 0.80). MolNFT v1 #90105 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4E99
Type: protein
Length: 554 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: P8S
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	554	73% helix, 0% strand	P02768

Ligands and binding sites

P8S · heptadecafluoro-1-octanesulfonic acid · ligand · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	931	0.80	0.82	97	empty
2	84	0.68	0.93	19	P8S
3	196	0.62	0.82	31	P8S
4	206	0.57	0.79	32	empty
5	54	0.49	0.86	15	empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

4E99 · Human Serum Albumin Complex with Perfluorooctane Sulfonate Potassium · 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 0.97

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 4E99 · PDBe 4E99 · UniProt P02768

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.