MolNFT v1 · #93950 · protein
Crystal structure of H112W mutant of borna disease virus matrix protein
4HI6: “Crystal structure of H112W mutant of borna disease virus matrix protein”. X-ray diffraction, 2 ligands (3GP, CL), 2 pockets (best druggability 0.70). MolNFT v1 #93950 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HI6
- Type
- protein
- Length
- 540 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix protein
- UniProt
- P0C794
- Ligands
- 3GP, CL
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Matrix protein | protein | 138 | 23% helix, 34% strand | P0C794 |
| B | Matrix protein | protein | 137 | 22% helix, 34% strand | P0C794 |
| C | Matrix protein | protein | 136 | 22% helix, 35% strand | P0C794 |
| D | Matrix protein | protein | 129 | 24% helix, 36% strand | P0C794 |
Ligands and binding sites
- 3GP · Guanosine-3'-monophosphate · ligand · 2 copies · chains A, D, B
- CL · Chloride ion · ion · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 509 | 0.70 | 0.80 | 52 | empty |
| 2 | 65 | 0.29 | 0.73 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1271 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1133 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1121 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 1051 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 15 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4HI6 · Crystal structure of H112W mutant of borna disease virus matrix protein · 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 P0C794
- Elsewhere: RCSB PDB 4HI6 · PDBe 4HI6 · UniProt P0C794
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