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Crystal structure of the marr family transcriptional regulator from variovorax paradoxus bound to picloram

Analyse Crystal structure of the marr family transcriptional regulator from variovorax… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KJQ
Type
protein
Length
140 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, marr family
UniProt
C5CSP2
Ligands
WOM, SO4
Pockets
1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, marr familyprotein14071% helix, 9% strandC5CSP2

Ligands and binding sites

  • WOM · Picloram · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14580.600.7427WOM

Compared structures

  • 7KJQ · Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus… · the same entry in another collection · chain A against A, TM-score 1.00

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