Research workbench
Structure of maleyl pyruvate isomerase, a bacterial glutathione-S- transferase in zeta class, in complex with substrate analogue dicarboxyethyl glutathione
Analyse Structure of maleyl pyruvate isomerase, a bacterial glutathione-S- transferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V6K
- Type
- protein
- Length
- 428 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maleylpyruvate isomerase
- EC
- 5.2.1.2
- UniProt
- O86043
- Ligands
- TGG, NA
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maleylpyruvate isomerase (EC 5.2.1.2) | protein | 214 | 58% helix, 7% strand | O86043 |
Ligands and binding sites
- TGG · Gamma-glutamyl-S-(1,2-dicarboxyethyl)cysteinylglycine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 119 | 0.80 | 0.98 | 21 | empty |
| 2 | 364 | 0.75 | 0.86 | 54 | TGG, ACT |
| 3 | 349 | 0.75 | 0.86 | 55 | TGG |
| 4 | 131 | 0.51 | 0.80 | 23 | empty |
| 5 | 139 | 0.51 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2016 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2V6K · Structure of Maleyl Pyruvate Isomerase, a bacterial glutathione-s- transferase in Zeta… · the same entry in another collection · chain A against A, TM-score 1.00
- O86043 · AlphaFold monomer V2.0 prediction for maleylpyruvate isomerase (O86043) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O86043
- Elsewhere: RCSB PDB 2V6K · PDBe 2V6K · UniProt O86043
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