MolNFT v1 · #103685 · protein

Crystal structure of leporine serum albumin in complex with naproxen

4PO0: “Crystal structure of leporine serum albumin in complex with naproxen”. X-ray diffraction, 1 ligand (NPS), 8 pockets (best druggability 0.78). MolNFT v1 #103685 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PO0
Type: protein
Length: 583 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: G1U9S2
Ligands: NPS
Pockets: 8 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	583	73% helix, 0% strand	G1U9S2

Ligands and binding sites

NPS · (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid · ligand · 3 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	924	0.78	0.80	86	empty
2	146	0.75	0.93	26	NPS
3	447	0.71	0.81	54	empty
4	113	0.62	0.87	19	empty
5	271	0.59	0.78	24	NPS

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

4PO0 · Crystal Structure of Leporine Serum Albumin in complex with naproxen · the same entry in another collection · chain A against A, TM-score 1.00

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 G1U9S2
Elsewhere: RCSB PDB 4PO0 · PDBe 4PO0 · UniProt G1U9S2

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