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Crystal structure of salmonella enterica hisa

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

PDB
5AHE
Type
protein
Length
231 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
1-(5-phosphoribosyl)-5-[(5-PHOSPHORIBOSYLAMINO)METHYLIDENE amino] imidazole-4-carboxamide…
EC
5.3.1.16
UniProt
P10372
Ligands
NA, PO4
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A1-(5-phosphoribosyl)-5-[(5-PHOSPHORIBOSYLAMINO)METHYLIDENE amino] imidazole-4-carboxamide isomerase (EC 5.3.1.16)protein23142% helix, 24% strandP10372

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic 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
14950.690.7945PO4, NA

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

  • 5AHE · Crystal structure of Salmonella enterica HisA · the same entry in another collection · chain A against A, TM-score 1.00
  • P10372 · AlphaFold monomer V2.0 prediction for 1-(5-phosphoribosyl)-5-[(5-PHOSPHORIBOSYLAMINO)METHY… · a predicted model of the same protein · chain A against A, TM-score 0.95

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