Research workbench
The crystallographic structure of the Complex between Evasin-1 and CCL3
Analyse The crystallographic structure of the Complex between Evasin-1 and CCL3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FPU
- Type
- protein
- Length
- 166 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.76
- Source
- Homo sapiens; Rhipicephalus sanguineus
- Molecule
- Evasin-1; C-C motif chemokine 3
- UniProt
- P0C8E7, P10147
- Ligands
- NI
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · resolution 1.76 · 2 distinct chains · 16% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Evasin-1 | protein | 100 | 11% helix, 41% strand | P0C8E7 |
| B | C-C motif chemokine 3 | protein | 66 | 23% helix, 27% strand | P10147 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.37 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1394 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3FPU · The crystallographic structure of the complex between evasin-1 and CCL3 · the same entry in another collection · chain A against A, TM-score 1.00
- P0C8E7 · AlphaFold monomer V2.0 prediction for evasin-1 (P0C8E7) · a predicted model of the same protein · chain A against A, TM-score 0.89
- P10147 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 3 (P10147) · a predicted model of the same protein · chain B against A, TM-score 0.86
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 P0C8E7
- Every structure of UniProt P10147
- Elsewhere: RCSB PDB 3FPU · PDBe 3FPU · UniProt P0C8E7 · UniProt P10147
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