MolNFT v1 · #81298 · protein

X-ray structure of the E2 domain of the human amyloid precursor protein (app) in complex with cadmium

3UMH · Amyloid beta A4 protein: “X-ray structure of the E2 domain of the human amyloid precursor protein (app) in complex with cadmium”. X-ray diffraction, 1 ligand (CD), 2 pockets (best druggability 0.55). MolNFT v1 #81298 on GenesisL1…

PDB: 3UMH
Type: protein
Length: 180 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amyloid beta A4 protein
UniProt: P05067
Ligands: CD
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 91% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Amyloid beta A4 protein	protein	180	91% helix, 0% strand	P05067

Ligands and binding sites

CD · Cadmium ion · metal · 9 copies · chains A
ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	322	0.55	0.75	33	ACT, CD
2	64	0.31	0.75	14	empty

Compared structures

3UMH · X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P05067
Elsewhere: RCSB PDB 3UMH · PDBe 3UMH · UniProt P05067

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