MolNFT v1 · #164298 · protein
Crystal structure of the tick chemokine-binding protein evasin-4 (sg 3)
6STE: “Crystal structure of the tick chemokine-binding protein evasin-4 (sg 3)”. X-ray diffraction, 5 pockets (best druggability 0.65). MolNFT v1 #164298 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6STE
- Type
- protein
- Length
- 332 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Evasin-4
- UniProt
- P0C8E9
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 4 distinct chains · 3% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Evasin-4 | protein | 81 | 0% helix, 58% strand | P0C8E9 |
| B | Evasin-4 | protein | 87 | 3% helix, 54% strand | P0C8E9 |
| D | Evasin-4 | protein | 85 | 9% helix, 51% strand | P0C8E9 |
| C | Evasin-4 | protein | 79 | 0% helix, 62% strand | P0C8E9 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B, D, C
- GOL · Glycerol · additive · 2 copies · chains A, B, C
- ACT · Acetate ion · additive · chains D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.65 | 0.80 | 31 | PEG |
| 2 | 126 | 0.60 | 0.85 | 18 | empty |
| 3 | 258 | 0.57 | 0.77 | 31 | ACT |
| 4 | 146 | 0.47 | 0.77 | 23 | empty |
| 5 | 53 | 0.31 | 0.76 | 13 | empty |
Interfaces
4 interfaces between chains.
- D–C · 918 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 877 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 597 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 230 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
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 P0C8E9
- Elsewhere: RCSB PDB 6STE · PDBe 6STE · UniProt P0C8E9
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