MolNFT v1 · #164184 · protein
High resolution crystal structure of N-terminal domain of PEX14 from trypanosoma brucei in complex with the fist compound with sub- micromolar trypanocidal activity
6SPT · Peroxin 14: “High resolution crystal structure of N-terminal domain of PEX14 from trypanosoma brucei in complex with the…”. X-ray diffraction, 2 ligands (FTW, CL). MolNFT v1 #164184 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6SPT
- Type
- protein
- Length
- 69 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxin 14
- UniProt
- Q8IEW2
- Ligands
- FTW, CL
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxin 14 | protein | 69 | 70% helix, 0% strand | Q8IEW2 |
Ligands and binding sites
- FTW · 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide · ligand · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- BME · Beta-mercaptoethanol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 6SPT · High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei… · 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 6SPT · PDBe 6SPT · UniProt Q8IEW2
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