MolNFT v1 · #68327 · protein + DNA
Classic protein with a new twist: crystal structure of a lexa repressor DNA complex
3JSO: “Classic protein with a new twist: crystal structure of a lexa repressor DNA complex”. X-ray diffraction, 5 pockets (best druggability 0.43). MolNFT v1 #68327 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3JSO
- Type
- protein + DNA
- Length
- 421 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lexa repressor; DNA (5'- D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP…
- EC
- 3.4.21.88
- UniProt
- P0A7C2
- Pockets
- 5 · best druggability 0.43
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lexa repressor (EC 3.4.21.88) | protein | 188 | 24% helix, 35% strand | P0A7C2 |
| B | Lexa repressor (EC 3.4.21.88) | protein | 189 | 23% helix, 34% strand | P0A7C2 |
| C, D | DNA (5'- D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*A)- 3') | dna | 22 | — | — |
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.43 | 0.76 | 20 | empty |
| 2 | 72 | 0.38 | 0.79 | 16 | empty |
| 3 | 87 | 0.37 | 0.76 | 14 | empty |
| 4 | 52 | 0.37 | 0.80 | 18 | empty |
| 5 | 62 | 0.34 | 0.78 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1447 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 922 Ų buried · 78 hydrogen bonds · nucleic-nucleic
- B–D · 577 Ų buried · 15 hydrogen bonds · protein-nucleic
- A–C · 568 Ų buried · 13 hydrogen bonds · protein-nucleic
- B–C · 430 Ų buried · 10 hydrogen bonds · protein-nucleic
Compared structures
- 3JSO · Classic Protein With a New Twist: crystal structure of a LexA repressor DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
- P0A7C2 · AlphaFold monomer V2.0 prediction for lexa repressor (P0A7C2) · a predicted model of the same protein · chain B against A, TM-score 0.62
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 P0A7C2
- Elsewhere: RCSB PDB 3JSO · PDBe 3JSO · UniProt P0A7C2
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