MolNFT v1 · #129363 · protein
Crystal structure of mycolicibacterium hassiacum glucosylglycerate hydrolase (mhggh) D182A variant in complex with serine and glycerol
5OI1: “Crystal structure of mycolicibacterium hassiacum glucosylglycerate hydrolase (mhggh) D182A variant in complex…”. X-ray diffraction, 1 ligand (SER), 6 pockets (best druggability 0.83). MolNFT v1 #129363 on GenesisL1: 3D structure…
- PDB
- 5OI1
- Type
- protein
- Length
- 890 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase
- UniProt
- K5BDL0
- Ligands
- SER
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hydrolase | protein | 445 | 51% helix, 6% strand | K5BDL0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.83 | 0.85 | 78 | empty |
| 2 | 76 | 0.77 | 0.99 | 22 | GOL, SER |
| 3 | 70 | 0.75 | 0.99 | 21 | GOL, SER |
| 4 | 62 | 0.48 | 0.84 | 14 | empty |
| 5 | 51 | 0.40 | 0.82 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5OI1 · Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH)… · the same entry in another collection · chain A against A, TM-score 1.00
- K5BDL0 · AlphaFold monomer V2.0 prediction for glucosylglycerate hydrolase (K5BDL0) · a predicted model of the same protein · 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 K5BDL0
- Elsewhere: RCSB PDB 5OI1 · PDBe 5OI1 · UniProt K5BDL0
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