MolNFT v1 · #123638 · protein

The xray crystal structure of P. falciparum aminopeptidase P

5JQK · Peptidase, putative: “The xray crystal structure of P. falciparum aminopeptidase P”. X-ray diffraction, 2 ligands (MN, PO4), 18 pockets (best druggability 0.78). MolNFT v1 #123638 on GenesisL1: 3D structure, binding sites and…

PDB: 5JQK
Type: protein
Length: 1,246 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptidase, putative
UniProt: Q8IKT5
Ligands: MN, PO4
Pockets: 18 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptidase, putative	protein	631	38% helix, 23% strand	Q8IKT5
B	Peptidase, putative	protein	615	38% helix, 22% strand	Q8IKT5

Ligands and binding sites

MN · Manganese (II) ion · metal · 4 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	846	0.78	0.81	90	PO4
2	717	0.77	0.82	83	PO4
3	376	0.64	0.79	42	empty
4	434	0.60	0.76	31	empty
5	170	0.56	0.81	23	empty

Interfaces

1 interface between chains.

A–B · 1178 Å² buried · 17 hydrogen bonds · protein-protein

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 Q8IKT5
Elsewhere: RCSB PDB 5JQK · PDBe 5JQK · UniProt Q8IKT5

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