MolNFT v2 · #129923 · protein
Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope
5OML: “Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to…”. X-ray diffraction at 1.5, 2 ligands (9YB, SO4). MolNFT v2 #129923 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OML
- Type
- protein
- Length
- 261 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- Trypanosoma brucei brucei
- UniProt
- Q8IEW2
- Ligands
- 9YB, SO4
Structure
x-ray diffraction · resolution 1.5 · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 64 | — | Q8IEW2 |
| B, C | — | protein | 67 | — | Q8IEW2 |
| D | — | protein | 63 | — | Q8IEW2 |
Ligands and binding sites
- 9YB · (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid · ligand · 4 copies · chains A, D, B, C
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C
- BME · Beta-mercaptoethanol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5OML · Crystal structure of trypanosoma brucei PEX14 N-terminal domain in complex with small… · 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 Q8IEW2
- Elsewhere: RCSB PDB 5OML · PDBe 5OML · UniProt Q8IEW2
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