MolNFT v1 · #104728 · protein

Crystal structure of the sugar phosphatase PFHAD1 from plasmodium falciparum

4QJB · Haloacid dehalogenase-like hydrolase: “Crystal structure of the sugar phosphatase PFHAD1 from plasmodium falciparum”. X-ray diffraction, 2 ligands (MG, CL), 5 pockets (best druggability 0.69). MolNFT v1 #104728 on GenesisL1: 3D…

PDB: 4QJB
Type: protein
Length: 555 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haloacid dehalogenase-like hydrolase
UniProt: Q8IJ74
Ligands: MG, CL
Pockets: 5 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haloacid dehalogenase-like hydrolase	protein	288	41% helix, 21% strand	Q8IJ74
B	Haloacid dehalogenase-like hydrolase	protein	267	44% helix, 20% strand	Q8IJ74

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

5 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	426	0.69	0.81	43	MG, CL
2	195	0.47	0.75	34	empty
3	62	0.39	0.80	15	empty
4	87	0.38	0.76	21	empty
5	54	0.31	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 545 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4QJB · Crystal structure of the sugar phosphatase PfHAD1 from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00

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 Q8IJ74
Elsewhere: RCSB PDB 4QJB · PDBe 4QJB · UniProt Q8IJ74

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