Research workbench
Crystal structure of anti-MSP2 fv fragment (MAB6D8)IN complex with MSP2 14-22
Analyse Crystal structure of anti-MSP2 fv fragment (MAB6D8)IN complex with MSP2 14-22 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QYO
- Type
- protein
- Length
- 234 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fv FRAGMENT(MAB6D8) heavy chain; Fv FRAGMENT(MAB6D8) light chain; Merozoite surface…
- UniProt
- Q03643
- Ligands
- ACE, NH2
- Pockets
- 1 · best druggability 0.25
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fv FRAGMENT(MAB6D8) heavy chain | protein | 114 | 8% helix, 52% strand | — |
| B | Fv FRAGMENT(MAB6D8) light chain | protein | 111 | 3% helix, 52% strand | — |
| Q | Merozoite surface antigen 2 | protein | 9 | 44% helix, 0% strand | Q03643 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.25 | 0.72 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 662 Ų buried · 9 hydrogen bonds · protein-protein
- B–Q · 415 Ų buried · 6 hydrogen bonds · protein-protein
- A–Q · 278 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 4QYO · Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22 · the same entry in another collection · chain A against A, TM-score 1.00
- Q03643 · AlphaFold monomer V2.0 prediction for merozoite surface antigen 2 (Q03643) · a predicted model of the same protein · chain Q against A, TM-score 0.43
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 Q03643
- Elsewhere: RCSB PDB 4QYO · PDBe 4QYO · UniProt Q03643
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