MolNFT v1 · #173388 · protein
Crystal structure of truncated USP1-UAF1
7AY0 · Wd repeat-containing protein 48: “Crystal structure of truncated USP1-UAF1”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.80). MolNFT v1 #173388 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AY0
- Type
- protein
- Length
- 1,610 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Wd repeat-containing protein 48; Ubiquitin carboxyl-terminal hydrolase 1
- EC
- 3.4.19.12
- UniProt
- Q8TAF3
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Wd repeat-containing protein 48 | protein | 512 | 10% helix, 43% strand | Q8TAF3 |
| B | Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) | protein | 302 | 29% helix, 29% strand | — |
| C | Wd repeat-containing protein 48 | protein | 511 | 10% helix, 42% strand | Q8TAF3 |
| D | Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) | protein | 285 | 28% helix, 31% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 609 | 0.80 | 0.86 | 61 | empty |
| 2 | 743 | 0.80 | 0.84 | 60 | empty |
| 3 | 68 | 0.72 | 0.96 | 15 | empty |
| 4 | 427 | 0.69 | 0.81 | 48 | empty |
| 5 | 401 | 0.69 | 0.81 | 47 | empty |
Interfaces
3 interfaces between chains.
- C–D · 848 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 846 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 279 Ų buried · 4 hydrogen bonds · protein-protein
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 Q8TAF3
- Elsewhere: RCSB PDB 7AY0 · PDBe 7AY0 · UniProt Q8TAF3
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