MolNFT v1 · #95429 · protein
Crystal structure of glutathione S-transferase MHA_0454 (target efi- 507015) from mannheimia haemolytica, substrate-free
4IQ1 · Glutathione transferase: “Crystal structure of glutathione S-transferase MHA_0454 (target efi- 507015) from mannheimia haemolytica…”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.74). MolNFT v1 #95429 on…
- PDB
- 4IQ1
- Type
- protein
- Length
- 634 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- EC
- 2.5.1.18
- UniProt
- A7JQU5
- Ligands
- CL
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase (EC 2.5.1.18) | protein | 209 | 61% helix, 8% strand | A7JQU5 |
| B | Glutathione transferase (EC 2.5.1.18) | protein | 214 | 59% helix, 7% strand | A7JQU5 |
| C | Glutathione transferase (EC 2.5.1.18) | protein | 211 | 59% helix, 8% strand | A7JQU5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 678 | 0.74 | 0.80 | 53 | empty |
| 2 | 411 | 0.65 | 0.79 | 32 | empty |
| 3 | 92 | 0.63 | 0.89 | 22 | empty |
| 4 | 248 | 0.56 | 0.77 | 31 | empty |
| 5 | 138 | 0.44 | 0.76 | 25 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1685 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 468 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4IQ1 · Crystal structure of glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM… · 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 A7JQU5
- Elsewhere: RCSB PDB 4IQ1 · PDBe 4IQ1 · UniProt A7JQU5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.