MolNFT v1 · #159194 · protein
Structure of plasmodium falciparum vaccine candidate PFS230D1M in complex with the Fab of a transmission blocking antibody
6OHG · Gametocyte surface protein P230: “Structure of plasmodium falciparum vaccine candidate PFS230D1M in complex with the Fab of a transmission…”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #159194 on GenesisL1: 3D…
- PDB
- 6OHG
- Type
- protein
- Length
- 601 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gametocyte surface protein P230; 4F12 light chain; 4F12 heavy chain
- UniProt
- P68874
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gametocyte surface protein P230 | protein | 170 | 4% helix, 42% strand | P68874 |
| B | 4F12 light chain | protein | 213 | 3% helix, 37% strand | — |
| C | 4F12 heavy chain | protein | 218 | 8% helix, 52% strand | — |
Ligands and binding sites
- ACY · Acetic acid · additive · 7 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, C
- PDO · 1,3-propandiol · additive · 4 copies · chains A, B, C
- MOH · Methanol · additive · 2 copies · chains B, C
- GOL · Glycerol · additive · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 660 | 0.65 | 0.75 | 63 | ACY, MOH, EDO |
| 2 | 94 | 0.51 | 0.82 | 23 | empty |
| 3 | 80 | 0.33 | 0.74 | 21 | empty |
| 4 | 56 | 0.29 | 0.75 | 17 | GOL |
Interfaces
3 interfaces between chains.
- B–C · 1669 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 682 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 184 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6OHG · Structure of Plasmodium falciparum vaccine candidate Pfs230D1M in complex with the Fab of… · 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 P68874
- Elsewhere: RCSB PDB 6OHG · PDBe 6OHG · UniProt P68874
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