MolNFT v1 · #129888 · protein
Peptst in complex with hepes (300 mm)
5OXQ · Di-or TRIPEPTIDE:H+ symporter: “Peptst in complex with hepes (300 mm)”. X-ray diffraction, 4 ligands (78N, 78M, NA), 2 pockets (best druggability 0.77). MolNFT v1 #129888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OXQ
- Type
- protein
- Length
- 455 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, PO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 82% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Di-or TRIPEPTIDE:H+ symporter | protein | 455 | 82% helix, 1% strand | Q5M4H8 |
Ligands and binding sites
- 78N · (2R)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 14 copies · chains A
- 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 4 copies · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.77 | 0.80 | 60 | PO4, EPE |
| 2 | 400 | 0.62 | 0.76 | 42 | 78N |
Compared structures
- 5OXQ · PepTSt in complex with HEPES (300 mM) · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q5M4H8
- Elsewhere: RCSB PDB 5OXQ · PDBe 5OXQ · UniProt Q5M4H8
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