Research workbench
Crystal structure of lmrr with V15 replaced by unnatural amino acid 4- amino-L-phenylalanine
Analyse Crystal structure of lmrr with V15 replaced by unnatural amino acid 4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6I8N
- Type
- protein
- Length
- 221 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, padr-like family
- UniProt
- A2RI36
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, padr-like family | protein | 107 | 65% helix, 11% strand | A2RI36 |
| B | Transcriptional regulator, padr-like family | protein | 114 | 68% helix, 11% strand | A2RI36 |
Ligands and binding sites
- MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A, B
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 | 587 | 0.74 | 0.81 | 48 | MPO |
| 2 | 72 | 0.32 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1832 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6I8N · Crystal structure of LmrR with V15 replaced by unnatural amino acid… · 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 A2RI36
- Elsewhere: RCSB PDB 6I8N · PDBe 6I8N · UniProt A2RI36
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