Research workbench
Crystal structure of the human apo GST pi C47S/Y108V double mutant
Analyse Crystal structure of the human apo GST pi C47S/Y108V double mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KMN
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase P
- EC
- 2.5.1.18
- UniProt
- P09211
- Ligands
- CA, CO3, PO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase P (EC 2.5.1.18) | protein | 209 | 61% helix, 8% strand | P09211 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
- CO3 · Carbonate ion · ion · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.73 | 0.79 | 85 | CO3 |
| 2 | 80 | 0.35 | 0.75 | 17 | empty |
| 3 | 77 | 0.33 | 0.74 | 19 | empty |
| 4 | 71 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1336 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3KMN · Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant · 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 P09211
- Elsewhere: RCSB PDB 3KMN · PDBe 3KMN · UniProt P09211
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