Research workbench
Peptst in complex with tripeptide phe-ala-gln
Analyse Peptst in complex with tripeptide phe-ala-gln in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GHJ
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Di-or TRIPEPTIDE:H+ symporter; Phe-ala-gln
- UniProt
- Q5M4H8
- Ligands
- 78N, 78M, NA, PO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Di-or TRIPEPTIDE:H+ symporter | protein | 457 | 84% helix, 1% strand | Q5M4H8 |
| B | Phe-ala-gln | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- 78N · (2R)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 11 copies · chains A
- 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 3 copies · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A
- 1PE · Pentaethylene glycol · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · 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 | 642 | 0.71 | 0.78 | 47 | empty |
| 2 | 435 | 0.62 | 0.75 | 43 | 78N |
Interfaces
1 interface between chains.
- A–B · 420 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6GHJ · PepTSt in complex with tripeptide Phe-Ala-Gln · 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 6GHJ · PDBe 6GHJ · UniProt Q5M4H8
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