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Solution structure of a dimer of lac repressor DNA-binding domain complexed to its natural operator O1

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

PDB
1L1M
Type
protein + DNA
Length
170 residues
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP *AP*AP*TP*TP*T)-3'…
UniProt
P03023
Pockets
3 · best druggability 0.37

Structure

solution nmr · 3 distinct chains · 60% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP *AP*AP*TP*TP*T)-3'dna23——
D5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*AP*CP *AP*AP*TP*TP*C)-3'dna23——
A, BLactose operon repressorprotein6260% helix, 0% strandP03023

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.370.7414empty
2660.290.7418empty
3540.290.7516empty

Interfaces

6 interfaces between chains.

  • C–D · 962 Ų buried · 89 hydrogen bonds · nucleic-nucleic
  • C–A · 647 Ų buried · 20 hydrogen bonds · protein-nucleic
  • C–B · 624 Ų buried · 14 hydrogen bonds · protein-nucleic
  • D–B · 559 Ų buried · 22 hydrogen bonds · protein-nucleic
  • D–A · 536 Ų buried · 16 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1L1M · Solution structure of a dimer of lac repressor DNA-binding domain complexed to its… · 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 0.84

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