MolNFT v1 · #164667 · protein
Crystal structure of herpes simplex virus 1 PUL7:PUL51 complex
6T5A · Tegument protein UL51: “Crystal structure of herpes simplex virus 1 PUL7:PUL51 complex”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.79). MolNFT v1 #164667 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6T5A
- Type
- protein
- Length
- 1,488 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tegument protein UL51; Cytoplasmic envelopment protein 1
- UniProt
- D3YPL0, A0A110B4Q7
- Ligands
- CL
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Tegument protein UL51 | protein | 96 | 63% helix, 11% strand | D3YPL0 |
| E, F, G, H | Cytoplasmic envelopment protein 1 | protein | 276 | 48% helix, 20% strand | A0A110B4Q7 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains E, F, G, H
- GOL · Glycerol · additive · 4 copies · chains A, E, B, F, C, G, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 828 | 0.79 | 0.82 | 78 | GOL, CL |
| 2 | 1109 | 0.79 | 0.80 | 84 | GOL, CL |
| 3 | 1042 | 0.78 | 0.80 | 82 | GOL, CL |
| 4 | 559 | 0.78 | 0.85 | 76 | GOL, CL |
| 5 | 805 | 0.77 | 0.80 | 41 | empty |
Interfaces
26 interfaces between chains.
- A–E · 2331 Ų buried · 32 hydrogen bonds · protein-protein
- D–H · 2326 Ų buried · 32 hydrogen bonds · protein-protein
- C–G · 2324 Ų buried · 32 hydrogen bonds · protein-protein
- B–F · 2320 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 588 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6T5A · Crystal structure of herpes simplex virus 1 pUL7:pUL51 complex · 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 D3YPL0
- Every structure of UniProt A0A110B4Q7
- Elsewhere: RCSB PDB 6T5A · PDBe 6T5A · UniProt D3YPL0 · UniProt A0A110B4Q7
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