Research workbench
Regulatory domain structure of NMB2055 (metr), C103S C106S mutant, a lysr family regulator from N. meningitidis
Analyse Regulatory domain structure of NMB2055 (metr), C103S C106S mutant, a lysr… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AB6
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, lysr family
- UniProt
- Q9JXG8
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, lysr family | protein | 214 | 36% helix, 28% strand | Q9JXG8 |
| B | Transcriptional regulator, lysr family | protein | 209 | 38% helix, 29% strand | Q9JXG8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.76 | 0.98 | 25 | empty |
| 2 | 82 | 0.76 | 0.98 | 25 | empty |
| 3 | 432 | 0.63 | 0.77 | 49 | empty |
| 4 | 162 | 0.56 | 0.81 | 22 | empty |
| 5 | 208 | 0.54 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1235 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4AB6 · Regulatory domain structure of NMB2055 (MetR), C103S C106S mutant, a LysR family… · 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 Q9JXG8
- Elsewhere: RCSB PDB 4AB6 · PDBe 4AB6 · UniProt Q9JXG8
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