MolNFT v1 · #78427 · protein + DNA
Crystal structure of the R-M controller protein C.ESP1396I ol operator complex
3S8Q: “Crystal structure of the R-M controller protein C.ESP1396I ol operator complex”. X-ray diffraction, 4 pockets (best druggability 0.41). MolNFT v1 #78427 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3S8Q
- Type
- protein + DNA
- Length
- 191 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- R-M controller protein; DNA (5'- D(*AP*TP*GP*TP*GP*AP*CP*TP*TP*AP*TP*AP*GP*TP*CP*CP*GP*TP*…
- UniProt
- Q8GGH0
- Pockets
- 4 · best druggability 0.41
Structure
x-ray diffraction · 4 distinct chains · 73% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | R-M controller protein | protein | 76 | 72% helix, 1% strand | Q8GGH0 |
| B | R-M controller protein | protein | 77 | 74% helix, 1% strand | Q8GGH0 |
| C | DNA (5'- D(*AP*TP*GP*TP*GP*AP*CP*TP*TP*AP*TP*AP*GP*TP*CP*CP*GP*TP*G)-3') | dna | 19 | — | — |
| D | DNA (5'- D(*TP*CP*AP*CP*GP*GP*AP*CP*TP*AP*TP*AP*AP*GP*TP*CP*AP*CP*A)-3') | dna | 19 | — | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.41 | 0.76 | 19 | empty |
| 2 | 98 | 0.37 | 0.76 | 18 | empty |
| 3 | 82 | 0.34 | 0.76 | 14 | empty |
| 4 | 52 | 0.26 | 0.74 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1008 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 898 Ų buried · 75 hydrogen bonds · nucleic-nucleic
- A–C · 454 Ų buried · 8 hydrogen bonds · protein-nucleic
- B–C · 417 Ų buried · 13 hydrogen bonds · protein-nucleic
- A–D · 385 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 3S8Q · Crystal structure of the R-M controller protein C.Esp1396I OL operator 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 Q8GGH0
- Elsewhere: RCSB PDB 3S8Q · PDBe 3S8Q · UniProt Q8GGH0
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