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Crystal structure of unligated HPPK(R82A) from E.COLI at 1.74 ångström resolution

Analyse Crystal structure of unligated HPPK(R82A) from E.COLI at 1.74 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1IM6
Type
protein
Length
158 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
EC
2.7.6.3
UniProt
P26281
Ligands
CL
Pockets
2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (EC 2.7.6.3)protein15830% helix, 27% strandP26281

Ligands and binding sites

  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.370.8013empty
2540.290.7512empty

Compared structures

  • 1IM6 · Crystal structure of unligated HPPK(R82A) from E.COLI at 1.74 ångström resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P26281 · AlphaFold monomer V2.0 prediction for 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine… · a predicted model of the same protein · chain A against A, TM-score 0.91

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