MolNFT v1 · #191117 · protein
PFS48/45 C-terminal domain bound to Fab fragment of monoclonal antibody 32F3
7ZWI · Gametocyte surface protein P45/48: “PFS48/45 C-terminal domain bound to Fab fragment of monoclonal antibody 32F3”. X-ray diffraction, 2 ligands (NAG, FUC), 11 pockets (best druggability 0.69). MolNFT v1 #191117 on GenesisL1: 3D…
- PDB
- 7ZWI
- Type
- protein
- Length
- 1,123 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gametocyte surface protein P45/48; 32F3 heavy chain; 32F3 light chain
- UniProt
- Q8I6T1
- Ligands
- NAG, FUC
- Pockets
- 11 · best druggability 0.69
Structure
x-ray diffraction · 6 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gametocyte surface protein P45/48 | protein | 137 | 6% helix, 51% strand | Q8I6T1 |
| B | 32F3 heavy chain | protein | 215 | 7% helix, 51% strand | — |
| C | 32F3 light chain | protein | 210 | 6% helix, 51% strand | — |
| D | Gametocyte surface protein P45/48 | protein | 136 | 6% helix, 51% strand | Q8I6T1 |
| E | 32F3 heavy chain | protein | 214 | 7% helix, 51% strand | — |
| F | 32F3 light chain | protein | 211 | 5% helix, 51% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains D
- FUC · alpha-L-fucopyranose · sugar · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.69 | 0.81 | 52 | empty |
| 2 | 415 | 0.61 | 0.76 | 54 | empty |
| 3 | 422 | 0.60 | 0.75 | 53 | empty |
| 4 | 176 | 0.58 | 0.81 | 24 | empty |
| 5 | 164 | 0.57 | 0.81 | 27 | empty |
Interfaces
9 interfaces between chains.
- B–C · 1916 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1836 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 744 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 737 Ų buried · 9 hydrogen bonds · protein-protein
- D–F · 527 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7ZWI · Pfs48/45 C-terminal domain bound to fab fragment of monoclonal antibody 32F3 · the same entry in another collection · chain F against F, TM-score 1.00
- Q8I6T1 · AlphaFold monomer V2.0 prediction for gametocyte surface protein P45/48 (Q8I6T1) · a predicted model of the same protein · chain D against A, TM-score 0.94
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 Q8I6T1
- Elsewhere: RCSB PDB 7ZWI · PDBe 7ZWI · UniProt Q8I6T1
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