MolNFT v1 · #85131 · protein
Structure of the human eosinophil cationic protein in complex with citrate anions
4A2Y: “Structure of the human eosinophil cationic protein in complex with citrate anions”. X-ray diffraction, 1 pocket (best druggability 0.26). MolNFT v1 #85131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4A2Y
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eosinophil cationic protein
- EC
- 3.1.27.-
- UniProt
- P12724
- Pockets
- 1 · best druggability 0.26
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Eosinophil cationic protein (EC 3.1.27.-) | protein | 133 | 19% helix, 33% strand | P12724 |
Ligands and binding sites
- CIT · Citric acid · additive · 5 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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 | 59 | 0.26 | 0.72 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 428 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4A2Y · Structure of the human eosinophil cationic protein in complex with citrate anions · the same entry in another collection · chain A against A, TM-score 1.00
- P12724 · AlphaFold monomer V2.0 prediction for eosinophil cationic protein (P12724) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P12724
- Elsewhere: RCSB PDB 4A2Y · PDBe 4A2Y · UniProt P12724
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