MolNFT v1 · #112110 · protein
Crystal structure of glutathione transferase URE2P4 from phanerochaete chrysosporium in complex with oxidized glutathione.
4ZB6 · PCURE2P4: “Crystal structure of glutathione transferase URE2P4 from phanerochaete chrysosporium in complex with oxidized…”. X-ray diffraction, 2 ligands (GDS, NA), 9 pockets (best druggability 0.75). MolNFT v1 #112110 on GenesisL1…
- PDB
- 4ZB6
- Type
- protein
- Length
- 874 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PCURE2P4
- Ligands
- GDS, NA
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PCURE2P4 | protein | 219 | 59% helix, 8% strand | — |
| B | PCURE2P4 | protein | 218 | 58% helix, 8% strand | — |
| C | PCURE2P4 | protein | 217 | 59% helix, 8% strand | — |
| D | PCURE2P4 | protein | 220 | 57% helix, 8% strand | — |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.75 | 0.81 | 55 | GDS, NA |
| 2 | 567 | 0.72 | 0.80 | 56 | GDS, NA |
| 3 | 524 | 0.72 | 0.81 | 52 | GDS, NA |
| 4 | 508 | 0.70 | 0.80 | 44 | GDS, NA |
| 5 | 582 | 0.67 | 0.77 | 51 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2077 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 2067 Ų buried · 39 hydrogen bonds · protein-protein
- A–D · 276 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4ZB6 · Crystal structure of glutathione transferase URE2P4 from Phanerochaete chrysosporium in… · 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
- Elsewhere: RCSB PDB 4ZB6 · PDBe 4ZB6
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