MolNFT v1 · #83310 · protein
Crystal structure of ubiquitin conjugating enzyme E2 UBCA1 from agrocybe aegerita
3WE5: “Crystal structure of ubiquitin conjugating enzyme E2 UBCA1 from agrocybe aegerita”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #83310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WE5
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin conjugating enzyme
- EC
- 6.3.2.19
- UniProt
- H9CTH3
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ubiquitin conjugating enzyme (EC 6.3.2.19) | protein | 141 | 28% helix, 19% strand | H9CTH3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.54 | 0.85 | 18 | empty |
| 2 | 117 | 0.41 | 0.76 | 20 | empty |
| 3 | 113 | 0.41 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 562 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3WE5 · Crystal structure of ubiquitin conjugating enzyme E2 UbcA1 from Agrocybe aegerita · 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 H9CTH3
- Elsewhere: RCSB PDB 3WE5 · PDBe 3WE5 · UniProt H9CTH3
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