MolNFT v1 · #52221 · protein

Human serum albumin complexed with fusidic acid

2VUF: “Human serum albumin complexed with fusidic acid”. X-ray diffraction, 1 ligand (FUA), 19 pockets (best druggability 0.81). MolNFT v1 #52221 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2VUF
Type: protein
Length: 1,105 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: FUA
Pockets: 19 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	556	72% helix, 0% strand	P02768
B	Serum albumin	protein	549	72% helix, 0% strand	P02768

Ligands and binding sites

FUA · Fusidic acid · ligand · 4 copies · chains A, B

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

Pockets

19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	757	0.81	0.84	79	empty
2	980	0.81	0.82	99	empty
3	456	0.70	0.80	39	FUA
4	52	0.67	0.96	20	empty
5	356	0.65	0.79	38	FUA

Modifications

Observed in the structure: 33 disulfide (disulfide).

Compared structures

2VUF · Human serum albumin complexed with fusidic 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 B 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 2VUF · PDBe 2VUF · UniProt P02768

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