MolNFT v1 · #173051 · protein + DNA
Structure of luxr with DNA (activation)
7AMT · Hth-type transcriptional regulator luxr: “Structure of luxr with DNA (activation)”. X-ray diffraction, 5 pockets (best druggability 0.83). MolNFT v1 #173051 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AMT
- Type
- protein + DNA
- Length
- 411 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator luxr; DNA (5'…
- UniProt
- B4X9Q4
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Hth-type transcriptional regulator luxr | protein | 183 | 74% helix, 0% strand | B4X9Q4 |
| A | Hth-type transcriptional regulator luxr | protein | 186 | 75% helix, 0% strand | B4X9Q4 |
| E | DNA (5'- D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)- 3') | dna | 21 | — | — |
| F | DNA (5'- D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)- 3') | dna | 21 | — | — |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.83 | 0.97 | 28 | empty |
| 2 | 129 | 0.80 | 0.97 | 23 | empty |
| 3 | 170 | 0.64 | 0.85 | 20 | empty |
| 4 | 231 | 0.59 | 0.80 | 41 | empty |
| 5 | 55 | 0.25 | 0.72 | 13 | empty |
Interfaces
6 interfaces between chains.
- B–A · 1993 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 935 Ų buried · 94 hydrogen bonds · nucleic-nucleic
- A–F · 422 Ų buried · 16 hydrogen bonds · protein-nucleic
- A–E · 362 Ų buried · 4 hydrogen bonds · protein-nucleic
- B–E · 337 Ų buried · 10 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7AMT · Structure of LuxR with DNA (activation) · 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 B4X9Q4
- Elsewhere: RCSB PDB 7AMT · PDBe 7AMT · UniProt B4X9Q4
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