MolNFT v1 · #24618 · protein
Structure of P. falciparum PFPK5-purvalanol B ligand complex
1V0P · Cell division control protein 2 homolog: “Structure of P. falciparum PFPK5-purvalanol B ligand complex”. X-ray diffraction, 1 ligand (PVB), 10 pockets (best druggability 0.67). MolNFT v1 #24618 on GenesisL1: 3D structure, binding…
- PDB
- 1V0P
- Type
- protein
- Length
- 535 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division control protein 2 homolog
- EC
- 2.7.1.22, 2.7.1.23
- UniProt
- Q07785
- Ligands
- PVB
- Pockets
- 10 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division control protein 2 homolog (EC 2.7.1.22, 2.7.1.23) | protein | 277 | 38% helix, 17% strand | Q07785 |
| B | Cell division control protein 2 homolog (EC 2.7.1.22, 2.7.1.23) | protein | 258 | 41% helix, 15% strand | Q07785 |
Ligands and binding sites
- PVB · Purvalanol B · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.67 | 0.86 | 23 | PVB |
| 2 | 218 | 0.62 | 0.82 | 25 | PVB |
| 3 | 327 | 0.58 | 0.77 | 28 | empty |
| 4 | 75 | 0.40 | 0.79 | 14 | empty |
| 5 | 76 | 0.38 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 83 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1V0P · Structure of P. falciparum PfPK5-Purvalanol B ligand complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q07785 · AlphaFold monomer V2.0 prediction for cell division control protein 2 homolog (Q07785) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q07785
- Elsewhere: RCSB PDB 1V0P · PDBe 1V0P · UniProt Q07785
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