MolNFT v1 · #164383 · protein

Crystal structure of neprilysin in complex with sampatrilat-asp.

6SVY: “Crystal structure of neprilysin in complex with sampatrilat-asp.”. X-ray diffraction, 3 ligands (D0W, NAG, ZN), 7 pockets (best druggability 0.76). MolNFT v1 #164383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6SVY
Type: protein
Length: 697 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neprilysin
EC: 3.4.24.11
UniProt: P08473
Ligands: D0W, NAG, ZN
Pockets: 7 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neprilysin (EC 3.4.24.11)	protein	697	59% helix, 8% strand	P08473

Ligands and binding sites

D0W · Sampatrilat-Asp · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
ZN · Zinc ion · metal · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1176	0.76	0.78	137	D0W
2	82	0.54	0.85	19	empty
3	132	0.45	0.77	25	empty
4	118	0.42	0.76	20	empty
5	78	0.36	0.77	14	empty

Modifications

Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

6SVY · Crystal structure of Neprilysin in complex with Sampatrilat-ASP. · the same entry in another collection · chain A against A, TM-score 1.00
P08473 · AlphaFold monomer V2.0 prediction for neprilysin (P08473) · a predicted model of the same protein · 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 P08473
Elsewhere: RCSB PDB 6SVY · PDBe 6SVY · UniProt P08473

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