MolNFT v1 · #186875 · protein

Crystal structures of human pyy and npy

7RTA · 4A3B2-B Fab heavy chain: “Crystal structures of human pyy and npy”. X-ray diffraction, 2 ligands (SO4, NH2), 2 pockets (best druggability 0.59). MolNFT v1 #186875 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7RTA
Type: protein
Length: 441 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4A3B2-B Fab heavy chain; 4A3B2-B Fab light chain; Neuropeptide Y
UniProt: P01303
Ligands: SO4, NH2
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	4A3B2-B Fab heavy chain	protein	205	9% helix, 52% strand	—
L	4A3B2-B Fab light chain	protein	212	5% helix, 50% strand	—
N	Neuropeptide Y	protein	24	83% helix, 0% strand	P01303

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains H, L
NH2 · Amino group · ion · chains H, N

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

Pockets

2 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	403	0.59	0.76	44	empty
2	63	0.51	0.87	19	empty

Interfaces

3 interfaces between chains.

H–L · 1526 Å² buried · 6 hydrogen bonds · protein-protein
H–N · 347 Å² buried · 4 hydrogen bonds · protein-protein
L–N · 309 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

7RTA · Crystal structures of human PYY and NPY · the same entry in another collection · chain H against H, TM-score 1.00
P01303 · AlphaFold monomer V2.0 prediction for pro-neuropeptide Y (P01303) · a predicted model of the same protein · chain N against A, TM-score 0.72

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 P01303
Elsewhere: RCSB PDB 7RTA · PDBe 7RTA · UniProt P01303

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.