MolNFT v1 · #143449 · protein
Crystal structure of PFS25 in complex with the transmission blocking antibody 1190
6AZZ · 1190 antibody, heavy chain: “Crystal structure of PFS25 in complex with the transmission blocking antibody 1190”. X-ray diffraction, 13 pockets (best druggability 0.71). MolNFT v1 #143449 on GenesisL1: 3D structure, binding sites…
- PDB
- 6AZZ
- Type
- protein
- Length
- 1,179 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1190 antibody, heavy chain; 1190 antibody, light chain; PFS25
- Pockets
- 13 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | 1190 antibody, heavy chain | protein | 220 | 8% helix, 51% strand | — |
| E, B | 1190 antibody, light chain | protein | 212 | 8% helix, 50% strand | — |
| C | 1190 antibody, heavy chain | protein | 217 | 8% helix, 53% strand | — |
| A | PFS25 | protein | 151 | 4% helix, 47% strand | — |
| D | PFS25 | protein | 167 | 4% helix, 48% strand | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 6 copies · chains F, E, C, D
- GOL · Glycerol · additive · 5 copies · chains F, E, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.71 | 0.75 | 76 | ACT, GOL |
| 2 | 305 | 0.57 | 0.76 | 41 | empty |
| 3 | 285 | 0.54 | 0.75 | 39 | empty |
| 4 | 328 | 0.52 | 0.74 | 46 | GOL |
| 5 | 245 | 0.49 | 0.74 | 38 | GOL |
Interfaces
9 interfaces between chains.
- F–E · 1790 Ų buried · 9 hydrogen bonds · protein-protein
- C–B · 1667 Ų buried · 10 hydrogen bonds · protein-protein
- C–A · 671 Ų buried · 10 hydrogen bonds · protein-protein
- F–D · 670 Ų buried · 9 hydrogen bonds · protein-protein
- B–A · 581 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 29 disulfide (disulfide).
Compared structures
- 6AZZ · Crystal structure of Pfs25 in complex with the transmission blocking antibody 1190 · the same entry in another collection · chain F against F, 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
- Elsewhere: RCSB PDB 6AZZ · PDBe 6AZZ
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