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Crystal structure of human serum albumin complexed with myristic acid and lysophosphatidylethanolamine

Analyse Crystal structure of human serum albumin complexed with myristic acid and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CX9
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: MYR, LPX
Pockets: 6 · best druggability 0.87

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	582	72% helix, 0% strand	P02768

Ligands and binding sites

MYR · Myristic acid · ligand · 5 copies · chains A
LPX · (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate · ligand · 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, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	544	0.87	0.92	69	MYR, LPX
2	489	0.86	0.92	58	MYR
3	374	0.71	0.83	37	empty
4	245	0.67	0.83	32	MYR
5	96	0.62	0.88	16	MYR

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

3CX9 · Crystal Structure of Human serum albumin complexed with Myristic acid and… · 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

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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 3CX9 · PDBe 3CX9 · UniProt P02768

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