Research workbench
Crystal structure of S. aureus mepr-DNA complex
Analyse Crystal structure of S. aureus mepr-DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LLN
- Type
- protein + DNA
- Length
- 971 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mepr; Palindromized mepr operator sequence
- UniProt
- Q5Y812
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 7 distinct chains · 70% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mepr | protein | 137 | 72% helix, 8% strand | Q5Y812 |
| B | Mepr | protein | 138 | 72% helix, 8% strand | Q5Y812 |
| G, H, E, F, K, L | Palindromized mepr operator sequence | dna | 24 | — | — |
| C | Mepr | protein | 136 | 71% helix, 7% strand | Q5Y812 |
| D | Mepr | protein | 139 | 69% helix, 8% strand | Q5Y812 |
| I | Mepr | protein | 137 | 68% helix, 7% strand | Q5Y812 |
| J | Mepr | protein | 140 | 68% helix, 8% strand | Q5Y812 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 977 | 0.85 | 0.87 | 84 | empty |
| 2 | 1123 | 0.84 | 0.85 | 91 | empty |
| 3 | 956 | 0.82 | 0.84 | 66 | empty |
| 4 | 93 | 0.60 | 0.87 | 21 | empty |
| 5 | 193 | 0.58 | 0.81 | 32 | empty |
Interfaces
24 interfaces between chains.
- C–D · 2238 Ų buried · 15 hydrogen bonds · protein-protein
- I–J · 2184 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 2171 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1010 Ų buried · 88 hydrogen bonds · nucleic-nucleic
- K–L · 1007 Ų buried · 95 hydrogen bonds · nucleic-nucleic
Compared structures
- 4LLN · Crystal structure of S. aureus MepR-DNA complex · 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 Q5Y812
- Elsewhere: RCSB PDB 4LLN · PDBe 4LLN · UniProt Q5Y812
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