Research workbench
Crystal structure of CGD4_240 from cryptosporidium parvum in complex with indirubin E804
Analyse Crystal structure of CGD4_240 from cryptosporidium parvum in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EB0
- Type
- protein
- Length
- 623 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- A3FQN0
- Ligands
- DRK
- Pockets
- 7 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 312 | 38% helix, 17% strand | A3FQN0 |
| C | Putative uncharacterized protein | protein | 311 | 39% helix, 16% strand | A3FQN0 |
Ligands and binding sites
- DRK · 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one · ligand · 2 copies · chains A, C
- GOL · Glycerol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.59 | 0.79 | 35 | DRK |
| 2 | 180 | 0.59 | 0.82 | 25 | DRK |
| 3 | 184 | 0.58 | 0.81 | 32 | empty |
| 4 | 244 | 0.56 | 0.77 | 32 | empty |
| 5 | 295 | 0.52 | 0.74 | 33 | empty |
Interfaces
1 interface between chains.
- A–C · 362 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3EB0 · Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804 · 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 A3FQN0
- Elsewhere: RCSB PDB 3EB0 · PDBe 3EB0 · UniProt A3FQN0
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