MolNFT v1 · #59317 · protein
Crystal structure of the C-terminal domain hexamer of argr from mycobacterium tuberculosis
3BUE · Arginine repressor argr: “Crystal structure of the C-terminal domain hexamer of argr from mycobacterium tuberculosis”. X-ray diffraction, 2 pockets (best druggability 0.83). MolNFT v1 #59317 on GenesisL1: 3D structure, binding sites…
- PDB
- 3BUE
- Type
- protein
- Length
- 469 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginine repressor argr
- UniProt
- P0A4Y8
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F | Arginine repressor argr | protein | 78 | 40% helix, 28% strand | P0A4Y8 |
| D | Arginine repressor argr | protein | 79 | 41% helix, 28% strand | P0A4Y8 |
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 | 961 | 0.83 | 0.85 | 105 | empty |
| 2 | 57 | 0.31 | 0.76 | 12 | empty |
Interfaces
12 interfaces between chains.
- A–C · 509 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 505 Ų buried · 7 hydrogen bonds · protein-protein
- D–F · 488 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 474 Ų buried · 7 hydrogen bonds · protein-protein
- E–F · 440 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3BUE · Crystal structure of the C-terminal domain hexamer of ArgR from Mycobacterium tuberculosis · 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 P0A4Y8
- Elsewhere: RCSB PDB 3BUE · PDBe 3BUE · UniProt P0A4Y8
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