MolNFT v1 · #62218 · protein
Crystal structure of the plasmodium falciparum ubiquitin conjugating enzyme complex, PFUBC13-PFUEV1A
3E95 · Ubiquitin carrier protein: “Crystal structure of the plasmodium falciparum ubiquitin conjugating enzyme complex, PFUBC13-PFUEV1A”. X-ray diffraction, 1 ligand (UNX), 3 pockets (best druggability 0.61). MolNFT v1 #62218 on GenesisL1…
- PDB
- 3E95
- Type
- protein
- Length
- 431 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin carrier protein; Ubiquitin-conjugating enzyme E2
- EC
- 6.3.2.-
- UniProt
- Q8I3J4, O97241
- Ligands
- UNX
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ubiquitin carrier protein (EC 6.3.2.-) | protein | 147 | 33% helix, 20% strand | Q8I3J4 |
| B | Ubiquitin carrier protein (EC 6.3.2.-) | protein | 146 | 36% helix, 21% strand | Q8I3J4 |
| C | Ubiquitin-conjugating enzyme E2 | protein | 138 | 26% helix, 20% strand | O97241 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 5 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.61 | 0.77 | 52 | empty |
| 2 | 291 | 0.59 | 0.78 | 37 | empty |
| 3 | 247 | 0.59 | 0.80 | 35 | empty |
Interfaces
2 interfaces between chains.
- B–C · 676 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 620 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3E95 · Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex… · 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 Q8I3J4
- Every structure of UniProt O97241
- Elsewhere: RCSB PDB 3E95 · PDBe 3E95 · UniProt Q8I3J4 · UniProt O97241
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