MolNFT v1 · #115892 · protein
Structure of coiled coil domain of leishmania donovani coronin
5CX2: “Structure of coiled coil domain of leishmania donovani coronin”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.73). MolNFT v1 #115892 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CX2
- Type
- protein
- Length
- 203 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coronin
- UniProt
- Q3T1U8
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coronin | protein | 55 | 91% helix, 0% strand | Q3T1U8 |
| B | Coronin | protein | 49 | 92% helix, 0% strand | Q3T1U8 |
| C | Coronin | protein | 50 | 96% helix, 0% strand | Q3T1U8 |
| D | Coronin | protein | 49 | 94% helix, 0% strand | Q3T1U8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B, C, D
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.73 | 0.99 | 12 | EDO |
| 2 | 214 | 0.50 | 0.76 | 36 | empty |
| 3 | 85 | 0.39 | 0.77 | 19 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1045 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 1022 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 806 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 793 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 313 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 5CX2 · Structure of coiled coil domain of Leishmania donovani coronin · 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 Q3T1U8
- Elsewhere: RCSB PDB 5CX2 · PDBe 5CX2 · UniProt Q3T1U8
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