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MolNFT v1 · #3451 · protein

The crystal structure of allosteric chorismate mutase at 2.2 ångströms resolution

1CSM: “The crystal structure of allosteric chorismate mutase at 2.2 ångströms resolution”. X-ray diffraction, 1 ligand (TRP), 5 pockets (best druggability 0.86). MolNFT v1 #3451 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1CSM
Type
protein
Length
504 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chorismate mutase
UniProt
P32178
Ligands
TRP
Pockets
5 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BChorismate mutaseprotein25262% helix, 0% strandP32178

Ligands and binding sites

  • TRP · Tryptophan · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110130.860.87106TRP
22060.700.8723empty
32630.690.8426empty
41320.460.7722empty
51180.430.7722empty

Interfaces

1 interface between chains.

  • A–B · 1972 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 1CSM · The crystal structure of allosteric chorismate mutase at 2.2 ångströms resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P32178 · AlphaFold monomer V2.0 prediction for chorismate mutase (P32178) · a predicted model of the same protein · chain A against A, TM-score 1.00

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