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Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus operator

Analyse Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MJP
Type
protein + DNA
Length
227 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Consensus operator duplex; Methionine repressor
UniProt
P0A8U6
Pockets
7 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CConsensus operator duplexdna10——
DConsensus operator duplexdna9——
A, BMethionine repressorprotein10444% helix, 11% strandP0A8U6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.470.8215empty
21100.470.8025empty
3750.460.8214empty
4890.430.7919empty
51370.420.7620empty

Interfaces

6 interfaces between chains.

  • A–B · 1595 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 406 Ų buried · 41 hydrogen bonds · nucleic-nucleic
  • C–B · 373 Ų buried · 13 hydrogen bonds · protein-nucleic
  • D–A · 247 Ų buried · 9 hydrogen bonds · protein-nucleic
  • D–B · 212 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 1MJP · Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus operator · the same entry in another collection · chain C against C, TM-score 1.00
  • P0A8U6 · AlphaFold monomer V2.0 prediction for met repressor (P0A8U6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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