MolNFT v1 · #156363 · protein
Bacterial beta class sphingomonas chungbukensis glutathione S- transferase
6M1T · Glutathione S-transferase: “Bacterial beta class sphingomonas chungbukensis glutathione S- transferase”. X-ray diffraction, 3 ligands (GSH, CYS, SO4), 4 pockets (best druggability 0.69). MolNFT v1 #156363 on GenesisL1: 3D structure…
- PDB
- 6M1T
- Type
- protein
- Length
- 402 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- O30347
- Ligands
- GSH, CYS, SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase | protein | 201 | 54% helix, 9% strand | O30347 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
- CYS · Cysteine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 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 | 701 | 0.69 | 0.76 | 69 | GSH |
| 2 | 417 | 0.64 | 0.78 | 55 | GSH |
| 3 | 73 | 0.32 | 0.74 | 17 | CYS, 1PE |
| 4 | 71 | 0.30 | 0.73 | 19 | CYS |
Interfaces
1 interface between chains.
- A–B · 1207 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6M1T · Bacterial beta class Sphingomonas chungbukensis Glutathione S-transferase · 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 O30347
- Elsewhere: RCSB PDB 6M1T · PDBe 6M1T · UniProt O30347
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