MolNFT v1 · #6280 · protein
Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its nucleotide complexes in three crystal forms.
1F7Q · Pol polyprotein: “Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its nucleotide complexes in…”. X-ray diffraction, 1 ligand (DUT), 4 pockets (best druggability 0.79). MolNFT v1 #6280 on GenesisL1: 3D…
- PDB
- 1F7Q
- Type
- protein
- Length
- 347 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pol polyprotein
- EC
- 3.6.1.23
- UniProt
- P16088
- Ligands
- DUT
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pol polyprotein (EC 3.6.1.23) | protein | 116 | 3% helix, 49% strand | P16088 |
| C | Pol polyprotein (EC 3.6.1.23) | protein | 115 | 3% helix, 48% strand | P16088 |
Ligands and binding sites
- DUT · Deoxyuridine-5'-triphosphate · ligand · 2 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.79 | 0.89 | 69 | DUT |
| 2 | 76 | 0.41 | 0.80 | 18 | empty |
| 3 | 92 | 0.40 | 0.77 | 20 | DUT |
| 4 | 80 | 0.33 | 0.74 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1459 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1423 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1308 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1F7Q · Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its… · 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 P16088
- Elsewhere: RCSB PDB 1F7Q · PDBe 1F7Q · UniProt P16088
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