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Crystal structure of plasmepsin I (pmi) from plasmodium falciparum

Analyse Crystal structure of plasmepsin I (pmi) from plasmodium falciparum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3QRV
Type: protein
Length: 652 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Plasmepsin-1
EC: 3.4.23.38
UniProt: P39898
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Plasmepsin-1 (EC 3.4.23.38)	protein	323	11% helix, 47% strand	P39898
B	Plasmepsin-1 (EC 3.4.23.38)	protein	329	12% helix, 46% strand	P39898

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	938	0.80	0.82	80	empty
2	680	0.74	0.80	52	empty

Interfaces

1 interface between chains.

A–B · 1223 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3QRV · Crystal structure of plasmepsin I (PMI) from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00
P39898 · AlphaFold monomer V2.0 prediction for plasmepsin-1 (P39898) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 P39898
Elsewhere: RCSB PDB 3QRV · PDBe 3QRV · UniProt P39898

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