MolNFT v1 · #155449 · protein
Crystal structure of CET1 from trypanosoma cruzi in complex with manganese ion.
6L7W · MRNA_TRIPASE domain-containing protein: “Crystal structure of CET1 from trypanosoma cruzi in complex with manganese ion.”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.56). MolNFT v1 #155449 on GenesisL1: 3D…
- 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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