MolNFT v1 · #179182 · protein
Crystal structure human immunodeficiency virus-1 matrix protein mutant Q63R crystal form 2
7JXS: “Crystal structure human immunodeficiency virus-1 matrix protein mutant Q63R crystal form 2”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.79). MolNFT v1 #179182 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7JXS
- Type
- protein
- Length
- 632 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix protein
- UniProt
- Q6E183
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Matrix protein | protein | 104 | 66% helix, 5% strand | Q6E183 |
| B | Matrix protein | protein | 106 | 65% helix, 5% strand | Q6E183 |
| C | Matrix protein | protein | 110 | 68% helix, 5% strand | Q6E183 |
| D | Matrix protein | protein | 103 | 66% helix, 5% strand | Q6E183 |
| F | Matrix protein | protein | 105 | 66% helix, 5% strand | Q6E183 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, D, C, E, F
- 12P · Dodecaethylene glycol · additive · chains A, B
- ACT · Acetate ion · additive · chains A, B, F
- P6G · Hexaethylene glycol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.79 | 0.87 | 34 | empty |
| 2 | 556 | 0.79 | 0.85 | 46 | SO4, ACT |
| 3 | 614 | 0.71 | 0.79 | 39 | 12P, SO4 |
| 4 | 196 | 0.48 | 0.76 | 27 | SO4 |
| 5 | 157 | 0.41 | 0.73 | 19 | empty |
Interfaces
12 interfaces between chains.
- A–B · 414 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 391 Ų buried · 7 hydrogen bonds · protein-protein
- C–E · 387 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 383 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 367 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7JXS · Crystal Structure Human Immunodeficiency Virus-1 Matrix protein Mutant Q63R Crystal Form 2 · 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 Q6E183
- Elsewhere: RCSB PDB 7JXS · PDBe 7JXS · UniProt Q6E183
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