Research workbench
Crystal structure of glutathione transferase SMC00097 from sinorhizobium meliloti, target efi-507275, with one glutathione bound per one protein subunit
Analyse Crystal structure of glutathione transferase SMC00097 from sinorhizobium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NHW
- Type
- protein
- Length
- 859 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- M4MQ92
- Ligands
- GSH
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 55% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 213 | 57% helix, 8% strand | M4MQ92 |
| B | Glutathione S-transferase (EC 2.5.1.18) | protein | 215 | 54% helix, 8% strand | M4MQ92 |
| C | Glutathione S-transferase (EC 2.5.1.18) | protein | 214 | 57% helix, 8% strand | M4MQ92 |
| D | Glutathione S-transferase (EC 2.5.1.18) | protein | 217 | 54% helix, 8% strand | M4MQ92 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.82 | 0.98 | 33 | empty |
| 2 | 146 | 0.82 | 0.98 | 30 | empty |
| 3 | 1088 | 0.79 | 0.80 | 93 | GSH |
| 4 | 871 | 0.70 | 0.76 | 83 | GSH |
| 5 | 152 | 0.56 | 0.81 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1456 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1405 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 499 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 215 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NHW · Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target… · 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 M4MQ92
- Elsewhere: RCSB PDB 4NHW · PDBe 4NHW · UniProt M4MQ92
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