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The transcriptional regulator prfa-L140F mutant from listeria monocytogenes in complex with a 30-bp operator prfa-box motif

Analyse The transcriptional regulator prfa-L140F mutant from listeria monocytogenes in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6QWK
Type
protein + DNA
Length
532 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Listeriolysin positive regulatory factor a; DNA (30-mer)
UniProt
Q4TVQ0
Pockets
12 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BListeriolysin positive regulatory factor aprotein23644% helix, 24% strandQ4TVQ0
CDNA (30-mer)dna30——
DDNA (30-mer)dna30——

Ligands and binding sites

  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.760.9824empty
2700.740.9718empty
35520.700.7967empty
42520.670.8329GOL
53000.660.8131empty

Interfaces

6 interfaces between chains.

  • A–B · 2439 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1316 Ų buried · 131 hydrogen bonds · nucleic-nucleic
  • A–D · 384 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–C · 374 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–C · 334 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 6QWK · The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes in complex… · the same entry in another collection · chain B against B, TM-score 1.00

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