MolNFT v1 · #187276 · protein
Heterodimeric complex of PF12 and PF41 of plasmodium falciparum
7S7Q · Merozoite surface protein P41: “Heterodimeric complex of PF12 and PF41 of plasmodium falciparum”. X-ray diffraction, 2 ligands (NAG, CD), 5 pockets (best druggability 0.73). MolNFT v1 #187276 on GenesisL1: 3D structure, binding…
- PDB
- 7S7Q
- Type
- protein
- Length
- 572 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Merozoite surface protein P41; Merozoite surface protein P12
- UniProt
- Q8I1Y0, C6KSX0
- Ligands
- NAG, CD
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Merozoite surface protein P41 | protein | 304 | 19% helix, 35% strand | Q8I1Y0 |
| B | Merozoite surface protein P12 | protein | 268 | 3% helix, 43% strand | C6KSX0 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CD · Cadmium ion · metal · 7 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.73 | 0.95 | 29 | empty |
| 2 | 1033 | 0.71 | 0.75 | 87 | empty |
| 3 | 56 | 0.63 | 0.93 | 19 | empty |
| 4 | 71 | 0.37 | 0.77 | 13 | empty |
| 5 | 69 | 0.30 | 0.73 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1115 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7S7Q · Heterodimeric complex of Pf12 and Pf41 of Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00
- Q8I1Y0 · AlphaFold monomer V2.0 prediction for merozoite surface protein P41 (Q8I1Y0) · a predicted model of the same protein · chain A against A, TM-score 0.96
- C6KSX0 · AlphaFold monomer V2.0 prediction for merozoite surface protein P12 (C6KSX0) · a predicted model of the same protein · chain B against A, TM-score 0.89
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 Q8I1Y0
- Every structure of UniProt C6KSX0
- Elsewhere: RCSB PDB 7S7Q · PDBe 7S7Q · UniProt Q8I1Y0 · UniProt C6KSX0
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