Research workbench
Crystal structure of CET1 from trypanosoma cruzi in complex with manganese ion.
Analyse Crystal structure of CET1 from trypanosoma cruzi in complex with manganese ion. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6L7W
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRNA_TRIPASE domain-containing protein
- UniProt
- Q4E2I1
- Ligands
- MN
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MRNA_TRIPASE domain-containing protein | protein | 185 | 26% helix, 48% strand | Q4E2I1 |
| B | MRNA_TRIPASE domain-containing protein | protein | 177 | 22% helix, 47% strand | Q4E2I1 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.56 | 0.74 | 43 | MN |
| 2 | 371 | 0.55 | 0.74 | 49 | MN |
| 3 | 82 | 0.41 | 0.79 | 20 | empty |
| 4 | 68 | 0.29 | 0.73 | 20 | empty |
| 5 | 52 | 0.26 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 709 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6L7W · Crystal structure of Cet1 from Trypanosoma cruzi in complex with manganese ion. · 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 Q4E2I1
- Elsewhere: RCSB PDB 6L7W · PDBe 6L7W · UniProt Q4E2I1
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