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Crystal structure of mercury soaked C-terminal domain of RV1828 from mycobacterium tuberculosis

Analyse Crystal structure of mercury soaked C-terminal domain of RV1828 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YDC
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized hth-type transcriptional regulator RV1828
UniProt
P9WME7
Ligands
HG, SO4
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized hth-type transcriptional regulator RV1828protein12071% helix, 2% strandP9WME7
BUncharacterized hth-type transcriptional regulator RV1828protein12270% helix, 2% strandP9WME7

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1640.300.7410empty

Interfaces

1 interface between chains.

  • A–B · 2550 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5YDC · Crystal structure of mercury soaked C-terminal domain of Rv1828 from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WME7 · AlphaFold monomer V2.0 prediction for uncharacterized hth-type transcriptional regulator… · a predicted model of the same protein · chain A against A, TM-score 0.84

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