Research workbench
Crystal structure of a putative protein-L-isoaspartate O- methyltransferase beta-aspartate methyltransferase (pcmt) from plasmodium falciparum in complex with S-adenosyl-L-homocysteine
Analyse Crystal structure of a putative protein-L-isoaspartate O- methyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PBF
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase
- EC
- 2.1.1.77
- UniProt
- Q8ILD5
- Ligands
- SAH
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase (EC 2.1.1.77) | protein | 218 | 34% helix, 28% strand | Q8ILD5 |
Ligands and binding sites
- 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 867 | 0.83 | 0.85 | 111 | SAH |
Interfaces
1 interface between chains.
- A–B · 1067 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2PBF · Crystal structure of a putative protein-L-isoaspartate O-methyltransferase beta-aspartate… · the same entry in another collection · chain B against B, 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 Q8ILD5
- Elsewhere: RCSB PDB 2PBF · PDBe 2PBF · UniProt Q8ILD5
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