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MolNFT v1 · #11100 · protein

Trpc stability mutant containing an engineered disulphide bridge and in complex with a cdrp-related substrate

1JCM · Indole-3-glycerol-phosphate synthase: “Trpc stability mutant containing an engineered disulphide bridge and in complex with a cdrp-related substrate”. X-ray diffraction, 2 ligands (137, PO4), 1 pocket (best druggability 0.80).…

PDB
1JCM
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Indole-3-glycerol-phosphate synthase
EC
4.1.1.48
Ligands
137, PO4
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PIndole-3-glycerol-phosphate synthase (EC 4.1.1.48)protein25940% helix, 19% strand—

Ligands and binding sites

  • 137 · 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate · ligand · chains P
  • PO4 · Phosphate ion · ion · 6 copies · chains P

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
11810.800.9532137

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1JCM · Trpc stability mutant containing an engineered disulphide bridge and in complex with a… · the same entry in another collection · chain P against P, TM-score 1.00

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