MolNFT v1 · #143235 · protein
Crystal structure of apo-HGSTA1-1 exhibiting a new conformation of C- terminal helix
6ATP · Glutathione S-transferase A1: “Crystal structure of apo-HGSTA1-1 exhibiting a new conformation of C- terminal helix”. X-ray diffraction, 6 pockets (best druggability 0.81). MolNFT v1 #143235 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ATP
- Type
- protein
- Length
- 441 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase A1
- EC
- 2.5.1.18
- UniProt
- P08263
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 221 | 57% helix, 8% strand | P08263 |
| B | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 220 | 60% helix, 8% strand | P08263 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.81 | 0.87 | 66 | empty |
| 2 | 479 | 0.81 | 0.88 | 51 | empty |
| 3 | 113 | 0.41 | 0.76 | 18 | MPD |
| 4 | 94 | 0.34 | 0.74 | 17 | empty |
| 5 | 51 | 0.28 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1541 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6ATP · Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix · 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 P08263
- Elsewhere: RCSB PDB 6ATP · PDBe 6ATP · UniProt P08263
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