MolNFT v1 · #59223 · protein
Crystal structure of mannitol operon repressor (mtlr) from vibrio parahaemolyticus rimd 2210633
3BRJ: “Crystal structure of mannitol operon repressor (mtlr) from vibrio parahaemolyticus rimd 2210633”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #59223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BRJ
- Type
- protein
- Length
- 667 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannitol operon repressor
- UniProt
- Q87SQ4
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 4 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannitol operon repressor | protein | 167 | 68% helix, 0% strand | Q87SQ4 |
| B | Mannitol operon repressor | protein | 169 | 70% helix, 0% strand | Q87SQ4 |
| C | Mannitol operon repressor | protein | 163 | 67% helix, 0% strand | Q87SQ4 |
| D | Mannitol operon repressor | protein | 168 | 70% helix, 0% strand | Q87SQ4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.42 | 0.77 | 32 | empty |
| 2 | 57 | 0.30 | 0.75 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–B · 811 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 796 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 471 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 468 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3BRJ · Crystal structure of mannitol operon repressor (MtlR) from Vibrio parahaemolyticus RIMD… · the same entry in another collection · chain B against B, 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 Q87SQ4
- Elsewhere: RCSB PDB 3BRJ · PDBe 3BRJ · UniProt Q87SQ4
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