MolNFT v1 · #100374 · protein

Crystal structure of an engineered lipocalin (anticalin H1GA) in complex with the alzheimer amyloid peptide ABETA1-40

4MVL · Neutrophil gelatinase-associated lipocalin: “Crystal structure of an engineered lipocalin (anticalin H1GA) in complex with the alzheimer amyloid peptide…”. X-ray diffraction, 13 pockets (best druggability 0.76). MolNFT v1 #100374 on…

PDB: 4MVL
Type: protein
Length: 730 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neutrophil gelatinase-associated lipocalin; Beta-amyloid protein 40
UniProt: P80188, P05067
Pockets: 13 · best druggability 0.76

Structure

x-ray diffraction · 6 distinct chains · 12% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neutrophil gelatinase-associated lipocalin	protein	173	13% helix, 40% strand	P80188
B	Neutrophil gelatinase-associated lipocalin	protein	172	11% helix, 40% strand	P80188
C	Neutrophil gelatinase-associated lipocalin	protein	174	11% helix, 37% strand	P80188
D	Neutrophil gelatinase-associated lipocalin	protein	171	12% helix, 40% strand	P80188
E, F	Beta-amyloid protein 40	protein	11	0% helix, 0% strand	P05067
G, H	Beta-amyloid protein 40	protein	9	0% helix, 0% strand	P05067

Pockets

13 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	1034	0.76	0.78	111	empty
2	226	0.62	0.82	26	empty
3	227	0.60	0.80	28	empty
4	200	0.59	0.81	30	empty
5	163	0.53	0.79	28	empty

Interfaces

9 interfaces between chains.

A–E · 809 Å² buried · 13 hydrogen bonds · protein-protein
B–F · 714 Å² buried · 11 hydrogen bonds · protein-protein
C–G · 685 Å² buried · 13 hydrogen bonds · protein-protein
D–H · 669 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 628 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4MVL · Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the… · the same entry in another collection · chain H against H, TM-score 1.00
P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain F against A, TM-score 0.34

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 P80188
Every structure of UniProt P05067
Elsewhere: RCSB PDB 4MVL · PDBe 4MVL · UniProt P80188 · UniProt P05067

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