MolNFT v1 · #95594 · protein
Crystal structure of SHH1 sawadee domain
4IUQ · Sawadee homeodomain homolog 1: “Crystal structure of SHH1 sawadee domain”. X-ray diffraction, 2 ligands (CVM, ZN), 2 pockets (best druggability 0.52). MolNFT v1 #95594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4IUQ
- Type
- protein
- Length
- 263 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sawadee homeodomain homolog 1
- UniProt
- Q9XI47
- Ligands
- CVM, ZN
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Sawadee homeodomain homolog 1 | protein | 129 | 10% helix, 50% strand | Q9XI47 |
| A | Sawadee homeodomain homolog 1 | protein | 134 | 12% helix, 48% strand | Q9XI47 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 206 | 0.52 | 0.77 | 29 | empty |
| 2 | 72 | 0.32 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- B–A · 235 Ų buried · 2 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 Q9XI47
- Elsewhere: RCSB PDB 4IUQ · PDBe 4IUQ · UniProt Q9XI47
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