MolNFT v1 · #105398 · protein
Crystal structure of anti-MSP2 fv fragment (MAB6D8)IN complex with MSP2 11-23
4R3S · Fv FRAGMENT(MAB6D8) heavy chain: “Crystal structure of anti-MSP2 fv fragment (MAB6D8)IN complex with MSP2 11-23”. X-ray diffraction, 1 ligand (NH2), 3 pockets (best druggability 0.31). MolNFT v1 #105398 on GenesisL1: 3D structure…
- PDB
- 4R3S
- Type
- protein
- Length
- 237 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
- Q9GQZ3
- Ligands
- NH2
- Pockets
- 3 · best druggability 0.31
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 49% 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 protein | protein | 12 | 33% helix, 0% strand | Q9GQZ3 |
Ligands and binding sites
- NH2 · Amino group · ion · chains Q
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.31 | 0.74 | 14 | empty |
| 2 | 58 | 0.29 | 0.74 | 15 | empty |
| 3 | 52 | 0.26 | 0.73 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 683 Ų buried · 8 hydrogen bonds · protein-protein
- B–Q · 439 Ų buried · 11 hydrogen bonds · protein-protein
- A–Q · 284 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4R3S · Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 · the same entry in another collection · chain A against A, 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
- Every structure of UniProt Q9GQZ3
- Elsewhere: RCSB PDB 4R3S · PDBe 4R3S · UniProt Q9GQZ3
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