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Solution structure of a dimeric lactose DNA-binding domain complexed to a nonspecific DNA sequence

Analyse Solution structure of a dimeric lactose DNA-binding domain complexed to a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OSL
Type
protein + DNA
Length
160 residues
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*AP*TP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*AP*TP*CP*G) -3'; Lactose operon repressor
UniProt
P03023
Pockets
4 · best druggability 0.61

Structure

solution nmr · 2 distinct chains · 48% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D5'-D(*CP*GP*AP*TP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*AP*TP*CP*G) -3'dna18——
A, BLactose operon repressorprotein6248% helix, 0% strandP03023

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.610.8327empty
2990.540.8418empty
31950.500.7723empty
4780.350.7613empty

Interfaces

6 interfaces between chains.

  • C–D · 773 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • C–A · 643 Ų buried · 20 hydrogen bonds · protein-nucleic
  • D–A · 525 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–B · 479 Ų buried · 15 hydrogen bonds · protein-nucleic
  • C–B · 457 Ų buried · 11 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1OSL · Solution structure of a dimeric lactose DNA-binding domain complexed to a nonspecific DNA… · the same entry in another collection · chain C against C, TM-score 1.00
  • P03023 · AlphaFold monomer V2.0 prediction for lactose operon repressor (P03023) · a predicted model of the same protein · chain A against A, TM-score 0.70

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