Research workbench
The crystal structure of escherichia COLI murr in apo form
Analyse The crystal structure of escherichia COLI murr in apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7EN6
- Type
- protein
- Length
- 698 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator murr
- UniProt
- A0A6C9BRR1
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator murr | protein | 171 | 57% helix, 12% strand | A0A6C9BRR1 |
| B, D | Hth-type transcriptional regulator murr | protein | 177 | 52% helix, 12% strand | A0A6C9BRR1 |
| C | Hth-type transcriptional regulator murr | protein | 173 | 58% helix, 12% strand | A0A6C9BRR1 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.78 | 0.82 | 87 | empty |
| 2 | 279 | 0.59 | 0.78 | 31 | empty |
| 3 | 283 | 0.59 | 0.78 | 30 | PO4 |
| 4 | 122 | 0.39 | 0.74 | 27 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1755 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 1724 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 778 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 740 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 345 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7EN6 · The crystal structure of Escherichia coli MurR in apo form · 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 A0A6C9BRR1
- Elsewhere: RCSB PDB 7EN6 · PDBe 7EN6 · UniProt A0A6C9BRR1
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