MolNFT v1 · #158810 · protein
X-ray crystal structure of metal-dependent transcriptional regulator mtsr
6O5C · Putative metal-dependent transcriptional regulator: “X-ray crystal structure of metal-dependent transcriptional regulator mtsr”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.77). MolNFT v1 #158810 on GenesisL1…
- PDB
- 6O5C
- Type
- protein
- Length
- 419 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative metal-dependent transcriptional regulator
- UniProt
- A0A0H2UTK0
- Ligands
- MN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative metal-dependent transcriptional regulator | protein | 215 | 46% helix, 20% strand | A0A0H2UTK0 |
| B | Putative metal-dependent transcriptional regulator | protein | 204 | 39% helix, 18% strand | A0A0H2UTK0 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1181 | 0.77 | 0.79 | 96 | MN |
| 2 | 205 | 0.64 | 0.83 | 28 | empty |
| 3 | 117 | 0.43 | 0.77 | 23 | empty |
| 4 | 63 | 0.36 | 0.78 | 17 | empty |
| 5 | 50 | 0.33 | 0.78 | 12 | PEG |
Interfaces
1 interface between chains.
- A–B · 584 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6O5C · X-ray crystal structure of metal-dependent transcriptional regulator MtsR · 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 A0A0H2UTK0
- Elsewhere: RCSB PDB 6O5C · PDBe 6O5C · UniProt A0A0H2UTK0
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