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Human serum albumin complexed with nbd-C12 fatty acid

Analyse Human serum albumin complexed with nbd-C12 fatty acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6EZQ
Type: protein
Length: 563 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: C7K
Pockets: 8 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	563	68% helix, 0% strand	P02768

Ligands and binding sites

C7K · 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid · ligand · 2 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, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1119	0.82	0.82	93	C7K
2	329	0.81	0.91	47	C7K
3	144	0.58	0.83	16	empty
4	244	0.58	0.79	26	empty
5	78	0.50	0.84	17	empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

6EZQ · human Serum Albumin complexed with NBD-C12 fatty 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 0.98

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 P02768
Elsewhere: RCSB PDB 6EZQ · PDBe 6EZQ · UniProt P02768

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