MolNFT v1 · #171129 · protein
Crystal structure of UBA4 from chaetomium thermophilum
6YUB · Adenylyltransferase and sulfurtransferase UBA4: “Crystal structure of UBA4 from chaetomium thermophilum”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.81). MolNFT v1 #171129 on GenesisL1: 3D structure, binding…
- PDB
- 6YUB
- Type
- protein
- Length
- 824 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylyltransferase and sulfurtransferase UBA4
- UniProt
- G0SC54
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylyltransferase and sulfurtransferase UBA4 | protein | 423 | 34% helix, 15% strand | G0SC54 |
| B | Adenylyltransferase and sulfurtransferase UBA4 | protein | 289 | 35% helix, 16% strand | G0SC54 |
| C | Adenylyltransferase and sulfurtransferase UBA4 | protein | 112 | 42% helix, 14% strand | G0SC54 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.81 | 0.97 | 24 | empty |
| 2 | 1185 | 0.77 | 0.79 | 91 | empty |
| 3 | 401 | 0.65 | 0.79 | 57 | empty |
| 4 | 158 | 0.48 | 0.77 | 26 | empty |
| 5 | 171 | 0.45 | 0.76 | 30 | empty |
Interfaces
2 interfaces between chains.
- A–B · 3302 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 776 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6YUB · Crystal structure of Uba4 from Chaetomium thermophilum · 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 G0SC54
- Elsewhere: RCSB PDB 6YUB · PDBe 6YUB · UniProt G0SC54
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