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Classic protein with a new twist: crystal structure of a lexa repressor DNA complex

Analyse Classic protein with a new twist: crystal structure of a lexa repressor DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JSP
Type
protein + DNA
Length
430 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*GP*CP*GP*CP*AP*TP*AP*CP*AP*GP*TP…
EC
3.4.21.88
UniProt
P0A7C2
Pockets
5 · best druggability 0.45

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALexa repressor (EC 3.4.21.88)protein19423% helix, 30% strandP0A7C2
BLexa repressor (EC 3.4.21.88)protein19221% helix, 29% strandP0A7C2
C, DDNA (5'- D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*GP*CP*GP*CP*AP*TP*AP*CP*AP*GP*TP*A)- 3')dna22——

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.450.7922empty
21100.450.7921empty
31590.450.7621empty
41110.440.7826empty
5820.380.7714empty

Interfaces

6 interfaces between chains.

  • A–B · 1430 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 967 Ų buried · 91 hydrogen bonds · nucleic-nucleic
  • B–D · 562 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–C · 548 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–C · 432 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 3JSP · 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 0.65

Analyse

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