MolNFT v1 · #5088 · protein

Human serum albumin complexed with decanoic acid (capric acid)

1E7E: “Human serum albumin complexed with decanoic acid (capric acid)”. X-ray diffraction, 1 ligand (DKA), 8 pockets (best druggability 0.87). MolNFT v1 #5088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1E7E
Type: protein
Length: 582 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: DKA
Pockets: 8 · best druggability 0.87

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	582	73% helix, 0% strand	P02768

Ligands and binding sites

DKA · Decanoic acid · ligand · 10 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	625	0.87	0.92	66	DKA
2	488	0.87	0.93	56	DKA
3	391	0.75	0.84	35	DKA
4	407	0.73	0.83	47	DKA
5	134	0.57	0.83	22	DKA

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

1E7E · Human serum albumin complexed with decanoic acid (capric acid) · 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 0.85

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 1E7E · PDBe 1E7E · UniProt P02768

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