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Crystal structure of had family hydrolase DR_1622 from deinococcus radiodurans R1 (target efi-501256) with bound citrate and sodium

Analyse Crystal structure of had family hydrolase DR_1622 from deinococcus radiodurans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EEL
Type
protein
Length
229 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-phosphoglucomutase-related protein
UniProt
Q9RTX8
Ligands
NA
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-phosphoglucomutase-related proteinprotein22950% helix, 13% strandQ9RTX8

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • CIT · Citric acid · additive · 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
13790.590.7640CIT, NA

Compared structures

  • 4EEL · Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET… · the same entry in another collection · chain A against A, TM-score 1.00

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