GL1X · GenesisL1 explorer

MolNFT v1 · #23557 · protein

ISPF NATIVE

1U3P · 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase: “ISPF NATIVE”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.41). MolNFT v1 #23557 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1U3P
Type
protein
Length
155 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
EC
4.6.1.12
UniProt
P62617
Ligands
ZN
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (EC 4.6.1.12)protein15536% helix, 31% strandP62617

Ligands and binding sites

  • ZN · Zinc 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.410.7815empty

Compared structures

  • 1U3P · IspF native · the same entry in another collection · chain A against A, TM-score 1.00
  • P62617 · AlphaFold monomer V2.0 prediction for 2-C-methyl-D-erythritol 2,4-cyclodiphosphate… · a predicted model of the same protein · chain A against A, TM-score 0.99

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