MolNFT v1 · #157723 · protein
Plasmodium falciparum fvo apical membrane antigen 1 (AMA1) bound to mtsl spin-labelled cyclised RON2 peptide
6N87 · Apical membrane antigen-1: “Plasmodium falciparum fvo apical membrane antigen 1 (AMA1) bound to mtsl spin-labelled cyclised RON2 peptide”. X-ray diffraction, 1 ligand (MTN), 2 pockets (best druggability 0.57). MolNFT v1 #157723 on…
- PDB
- 6N87
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apical membrane antigen-1; Backbone-cyclised peptide BCRON2HP
- UniProt
- Q1PBJ5
- Ligands
- MTN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apical membrane antigen-1 | protein | 314 | 21% helix, 28% strand | Q1PBJ5 |
| C | Backbone-cyclised peptide BCRON2HP | protein | 13 | 0% helix, 38% strand | — |
Ligands and binding sites
- MTN · S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.57 | 0.77 | 29 | empty |
| 2 | 57 | 0.39 | 0.79 | 12 | MTN |
Interfaces
1 interface between chains.
- A–C · 652 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 6N87 · Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled… · 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 Q1PBJ5
- Elsewhere: RCSB PDB 6N87 · PDBe 6N87 · UniProt Q1PBJ5
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