MolNFT v1 · #160332 · protein
PFS25 in complex with the human transmission blocking antibody 2544
6PHC · 25 kda ookinete surface antigen: “PFS25 in complex with the human transmission blocking antibody 2544”. X-ray diffraction, 14 pockets (best druggability 0.68). MolNFT v1 #160332 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6PHC
- Type
- protein
- Length
- 1,203 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 25 kda ookinete surface antigen; 2544 antibody Fab, heavy chain; 2544 antibody Fab, light…
- UniProt
- P13829
- Pockets
- 14 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | 25 kda ookinete surface antigen | protein | 158 | 6% helix, 44% strand | P13829 |
| A, C | 2544 antibody Fab, heavy chain | protein | 228 | 11% helix, 54% strand | — |
| B, D | 2544 antibody Fab, light chain | protein | 217 | 7% helix, 52% strand | — |
| E | 25 kda ookinete surface antigen | protein | 155 | 6% helix, 48% strand | P13829 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains I, B, E, C, D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.68 | 0.78 | 57 | empty |
| 2 | 597 | 0.67 | 0.77 | 69 | empty |
| 3 | 570 | 0.64 | 0.76 | 44 | empty |
| 4 | 405 | 0.56 | 0.74 | 56 | empty |
| 5 | 287 | 0.50 | 0.73 | 39 | empty |
Interfaces
7 interfaces between chains.
- C–D · 2049 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1974 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1087 Ų buried · 22 hydrogen bonds · protein-protein
- E–C · 764 Ų buried · 16 hydrogen bonds · protein-protein
- I–A · 759 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 31 disulfide (disulfide).
Compared structures
- 6PHC · Pfs25 in complex with the human transmission blocking antibody 2544 · the same entry in another collection · chain D against D, TM-score 1.00
- P13829 · AlphaFold monomer V2.0 prediction for 25 kda ookinete surface antigen (P13829) · a predicted model of the same protein · chain E against A, TM-score 0.97
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 P13829
- Elsewhere: RCSB PDB 6PHC · PDBe 6PHC · UniProt P13829
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