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MolNFT v1 · #40001 · protein

Human isopentenyl diphophate isomerase complexed with substrate analog

2ICK · Isopentenyl-diphosphate delta isomerase: “Human isopentenyl diphophate isomerase complexed with substrate analog”. X-ray diffraction, 2 ligands (DMA, MN), 1 pocket (best druggability 0.70). MolNFT v1 #40001 on GenesisL1: 3D…

PDB
2ICK
Type
protein
Length
220 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isopentenyl-diphosphate delta isomerase
EC
5.3.3.2
UniProt
Q86U81
Ligands
DMA, MN
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsopentenyl-diphosphate delta isomerase (EC 5.3.3.2)protein22031% helix, 31% strandQ86U81

Ligands and binding sites

  • DMA · Dimethylallyl diphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · 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
1600.700.9724DMA

Compared structures

  • 2ICK · Human isopentenyl diphophate isomerase complexed with substrate analog · the same entry in another collection · chain A against A, TM-score 1.00

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