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Crystal structure of pacysb regulatory domain

Analyse Crystal structure of pacysb regulatory domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z50
Type
protein
Length
464 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cys regulon transcriptional activator
UniProt
O05926
Ligands
SO4
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCys regulon transcriptional activatorprotein23237% helix, 26% strandO05926

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 9 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.740.9038SO4
21850.490.7628SO4
31700.450.7528SO4
4900.320.7313empty
5590.290.7415GOL

Interfaces

1 interface between chains.

  • A–B · 1215 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 5Z50 · Crystal structure of PaCysB regulatory domain · the same entry in another collection · chain A against A, TM-score 1.00

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