MolNFT v1 · #143466 · protein
Crystal structure of PFS25 in complex with the transmission blocking antibody 1262
6B0H: “Crystal structure of PFS25 in complex with the transmission blocking antibody 1262”. X-ray diffraction, 15 pockets (best druggability 0.82). MolNFT v1 #143466 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B0H
- Type
- protein
- Length
- 1,199 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PFS25; 1262 antibody, heavy chain; 1262 antibody, light chain
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 5 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | PFS25 | protein | 168 | 4% helix, 46% strand | — |
| J | PFS25 | protein | 162 | 4% helix, 48% strand | — |
| B | 1262 antibody, heavy chain | protein | 221 | 10% helix, 53% strand | — |
| D | 1262 antibody, heavy chain | protein | 222 | 10% helix, 53% strand | — |
| A, C | 1262 antibody, light chain | protein | 213 | 5% helix, 52% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains J, B, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.82 | 0.88 | 72 | EDO |
| 2 | 206 | 0.68 | 0.86 | 42 | empty |
| 3 | 339 | 0.65 | 0.80 | 45 | empty |
| 4 | 147 | 0.64 | 0.86 | 29 | empty |
| 5 | 158 | 0.52 | 0.79 | 41 | empty |
Interfaces
12 interfaces between chains.
- D–C · 2003 Ų buried · 19 hydrogen bonds · protein-protein
- B–A · 1999 Ų buried · 17 hydrogen bonds · protein-protein
- I–D · 570 Ų buried · 11 hydrogen bonds · protein-protein
- J–B · 553 Ų buried · 10 hydrogen bonds · protein-protein
- I–C · 429 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 disulfide (disulfide).
Compared structures
- 6B0H · Crystal structure of Pfs25 in complex with the transmission blocking antibody 1262 · the same entry in another collection · chain I against I, 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 6B0H · PDBe 6B0H
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