MolNFT v1 · #155967 · protein
Crystal structure of human glutaminase with macrocyclic inhibitor
6LOX · Glutaminase kidney isoform, mitochondrial: “Crystal structure of human glutaminase with macrocyclic inhibitor”. X-ray diffraction, 1 ligand (EN3), 15 pockets (best druggability 0.81). MolNFT v1 #155967 on GenesisL1: 3D structure…
- PDB
- 6LOX
- Type
- protein
- Length
- 1,629 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaminase kidney isoform, mitochondrial
- EC
- 3.5.1.2
- UniProt
- O94925
- Ligands
- EN3
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 407 | 47% helix, 12% strand | O94925 |
| C | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 410 | 48% helix, 11% strand | O94925 |
| D | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 405 | 48% helix, 11% strand | O94925 |
Ligands and binding sites
- EN3 · (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione · ligand · 2 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 931 | 0.81 | 0.83 | 120 | empty |
| 2 | 726 | 0.80 | 0.84 | 88 | empty |
| 3 | 349 | 0.72 | 0.84 | 41 | empty |
| 4 | 357 | 0.71 | 0.84 | 43 | empty |
| 5 | 150 | 0.65 | 0.86 | 26 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1754 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1745 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 562 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 512 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6LOX · Crystal Structure of human glutaminase with macrocyclic inhibitor · the same entry in another collection · chain D against D, TM-score 1.00
- O94925 · AlphaFold monomer V2.0 prediction for glutaminase kidney isoform, mitochondrial (O94925) · a predicted model of the same protein · chain D 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 O94925
- Elsewhere: RCSB PDB 6LOX · PDBe 6LOX · UniProt O94925
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.