MolNFT v1 · #134442 · protein
Crystal structure of semet derivative BHGH81
5T49 · BH0236 protein: “Crystal structure of semet derivative BHGH81”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.57). MolNFT v1 #134442 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5T49
- Type
- protein
- Length
- 752 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH0236 protein
- UniProt
- Q9KG76
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH0236 protein | protein | 752 | 29% helix, 27% strand | Q9KG76 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 9 copies · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.57 | 0.80 | 34 | empty |
| 2 | 174 | 0.56 | 0.80 | 27 | EDO |
| 3 | 98 | 0.41 | 0.77 | 16 | PO4 |
| 4 | 69 | 0.34 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 5T49 · Crystal structure of SeMet derivative BhGH81 · 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 Q9KG76
- Elsewhere: RCSB PDB 5T49 · PDBe 5T49 · UniProt Q9KG76
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