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MolNFT v1 · #129886 · protein

Peptst apo structure

5OXO · Di-or TRIPEPTIDE:H+ symporter: “Peptst apo structure”. X-ray diffraction, 3 ligands (78N, 78M, NA), 3 pockets (best druggability 0.77). MolNFT v1 #129886 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5OXO
Type
protein
Length
456 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Di-or TRIPEPTIDE:H+ symporter
UniProt
Q5M4H8
Ligands
78N, 78M, NA
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 83% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADi-or TRIPEPTIDE:H+ symporterprotein45683% helix, 1% strandQ5M4H8

Ligands and binding sites

  • 78N · (2R)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 15 copies · chains A
  • 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 5 copies · chains A
  • NA · Sodium ion · metal · chains A
  • 1PE · Pentaethylene glycol · additive · 2 copies · chains A
  • CIT · Citric acid · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18160.770.81551PE
23540.610.763678N
31200.400.7419empty

Compared structures

  • 5OXO · PepTSt apo structure · the same entry in another collection · chain A against A, TM-score 1.00

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