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Phosphoethanolamine methyltransferase from plasmodium falciparum in complex with sah and phosphoethanolamine

Analyse Phosphoethanolamine methyltransferase from plasmodium falciparum in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UJB
Type: protein
Length: 512 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphoethanolamine N-methyltransferase
UniProt: Q6T755
Ligands: OPE, SAH
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phosphoethanolamine N-methyltransferase	protein	256	49% helix, 21% strand	Q6T755

Ligands and binding sites

OPE · Phosphoric acid mono-(2-amino-ethyl) ester · ligand · 2 copies · chains A, B
SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	217	0.76	0.90	38	SAH
2	434	0.75	0.84	65	OPE, SAH
3	203	0.58	0.80	31	OPE

Compared structures

3UJB · Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAH and… · 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 Q6T755
Elsewhere: RCSB PDB 3UJB · PDBe 3UJB · UniProt Q6T755

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