MolNFT v1 · #191036 · protein
UBA1 in complex with ATP
7ZH9 · Ubiquitin-activating enzyme E1 1: “UBA1 in complex with ATP”. X-ray diffraction, 5 ligands (ATP, MG, K), 12 pockets (best druggability 0.69). MolNFT v1 #191036 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7ZH9
- Type
- protein
- Length
- 1,005 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin-activating enzyme E1 1
- EC
- 6.2.1.45
- UniProt
- P22515
- Ligands
- ATP, MG, K, SO4, CL
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ubiquitin-activating enzyme E1 1 (EC 6.2.1.45) | protein | 1005 | 41% helix, 17% strand | P22515 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- K · Potassium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 10 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 582 | 0.69 | 0.78 | 65 | ATP, MG, GOL |
| 2 | 589 | 0.63 | 0.75 | 52 | empty |
| 3 | 450 | 0.60 | 0.75 | 47 | GOL, CL |
| 4 | 346 | 0.58 | 0.76 | 45 | empty |
| 5 | 370 | 0.58 | 0.75 | 44 | empty |
Compared structures
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 P22515
- Elsewhere: RCSB PDB 7ZH9 · PDBe 7ZH9 · UniProt P22515
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