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IPP:DMAPP isomerase type II apo structure

Analyse IPP:DMAPP isomerase type II apo structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1P0K
Type
protein
Length
615 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isopentenyl-diphosphate delta-isomerase
EC
5.3.3.2
UniProt
P50740
Ligands
PO4
Pockets
7 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsopentenyl-diphosphate delta-isomerase (EC 5.3.3.2)protein30647% helix, 17% strandP50740
BIsopentenyl-diphosphate delta-isomerase (EC 5.3.3.2)protein30950% helix, 16% strandP50740

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11510.550.8130empty
21470.430.7524empty
31530.430.7424empty
41140.430.7721empty
51730.420.7433PO4

Interfaces

1 interface between chains.

  • A–B · 519 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 1P0K · IPP:DMAPP isomerase type II apo structure · the same entry in another collection · chain A against A, TM-score 1.00
  • P50740 · AlphaFold monomer V2.0 prediction for isopentenyl-diphosphate delta- isomerase (P50740) · a predicted model of the same protein · chain B against A, TM-score 0.96

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