GL1X · GenesisL1 explorer

MolNFT v1 · #173059 · protein

Enzyme of biosynthetic pathway

7AN7 · Chorismate dehydratase: “Enzyme of biosynthetic pathway”. X-ray diffraction, 1 ligand (RDH), 8 pockets (best druggability 0.76). MolNFT v1 #173059 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7AN7
Type
protein
Length
565 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chorismate dehydratase
EC
4.2.1.151
UniProt
Q9L0T8
Ligands
RDH
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChorismate dehydratase (EC 4.2.1.151)protein28251% helix, 22% strandQ9L0T8
BChorismate dehydratase (EC 4.2.1.151)protein28351% helix, 22% strandQ9L0T8

Ligands and binding sites

  • RDH · 3-[(1-Carboxyvinyl)oxy]benzoic acid · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1840.760.9820RDH
2830.760.9821RDH
32570.560.7841GOL
4570.490.8514GOL
5540.450.8313GOL

Interfaces

1 interface between chains.

  • A–B · 1169 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 7AN7 · Enzyme of biosynthetic pathway · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9L0T8 · AlphaFold monomer V2.0 prediction for chorismate dehydratase (Q9L0T8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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