Research workbench
Crystal structure of a Fab complex whith plasmodium falciparum MSP1-19
Analyse Crystal structure of a Fab complex whith plasmodium falciparum MSP1-19 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OB1
- Type
- protein
- Length
- 1,059 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody, heavy chain; Antibody, light chain; Major merozoite surface protein
- UniProt
- Q25976
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Antibody, heavy chain | protein | 215 | 3% helix, 43% strand | — |
| B, E | Antibody, light chain | protein | 219 | 8% helix, 49% strand | — |
| C | Major merozoite surface protein | protein | 95 | 7% helix, 29% strand | Q25976 |
| F | Major merozoite surface protein | protein | 96 | 7% helix, 35% strand | Q25976 |
Ligands and binding sites
- CAC · Cacodylate ion · additive · 2 copies · chains B, C, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.79 | 0.81 | 98 | CAC |
| 2 | 938 | 0.79 | 0.81 | 93 | CAC |
| 3 | 402 | 0.57 | 0.74 | 60 | empty |
| 4 | 336 | 0.53 | 0.74 | 55 | empty |
| 5 | 80 | 0.42 | 0.79 | 20 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1841 Ų buried · 13 hydrogen bonds · protein-protein
- D–E · 1824 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 548 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 534 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 302 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 disulfide (disulfide).
Compared structures
- 1OB1 · Crystal structure of a Fab complex whith Plasmodium falciparum MSP1-19 · 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 Q25976
- Elsewhere: RCSB PDB 1OB1 · PDBe 1OB1 · UniProt Q25976
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