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Deoxychorismate lyase from escherichia COLI with inhibitor

Analyse Deoxychorismate lyase from escherichia COLI with inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1I2L
Type
protein
Length
269 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.3
Source
Escherichia coli
Molecule
4-amino-4-deoxychorismate lyase
EC
4.-.-.-
UniProt
P28305
Ligands
DCS
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · resolution 2.3 · 1 distinct chain · 28% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4-amino-4-deoxychorismate lyase (EC 4.-.-.-)protein26928% helix, 30% strandP28305

Ligands and binding sites

  • DCS · D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12660.600.7934DCS
2550.320.7711empty
3530.250.7216empty

Compared structures

  • 1I2L · Deoxychorismate lyase from escherichia COLI with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P28305 · AlphaFold monomer V2.0 prediction for aminodeoxychorismate lyase (P28305) · a predicted model of the same protein · chain A against A, TM-score 0.99

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