MolNFT v1 · #166283 · protein
Crystal structure of human gac in complex with inhibitor UPGL00012
6ULA · Glutaminase kidney isoform, mitochondrial: “Crystal structure of human gac in complex with inhibitor UPGL00012”. X-ray diffraction, 1 ligand (QA4), 18 pockets (best druggability 0.80). MolNFT v1 #166283 on GenesisL1: 3D structure…
- PDB
- 6ULA
- Type
- protein
- Length
- 3,278 residues
- Chains
- 8
- 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
- QA4
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 409 | 48% helix, 12% strand | O94925 |
| B, C, D, G, F, H | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 410 | 49% helix, 12% strand | O94925 |
Ligands and binding sites
- QA4 · 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1, 3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide · ligand · 4 copies · chains A, B, C, D, E, F, H, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.80 | 0.83 | 83 | QA4 |
| 2 | 1068 | 0.80 | 0.81 | 112 | empty |
| 3 | 1084 | 0.80 | 0.81 | 106 | empty |
| 4 | 1096 | 0.79 | 0.81 | 111 | empty |
| 5 | 1086 | 0.79 | 0.81 | 114 | empty |
Interfaces
17 interfaces between chains.
- E–H · 2077 Ų buried · 31 hydrogen bonds · protein-protein
- G–F · 2001 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 1948 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 1945 Ų buried · 30 hydrogen bonds · protein-protein
- F–H · 652 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6ULA · Crystal structure of human GAC in complex with inhibitor UPGL00012 · the same entry in another collection · chain H against H, TM-score 1.00
- O94925 · AlphaFold monomer V2.0 prediction for glutaminase kidney isoform, mitochondrial (O94925) · a predicted model of the same protein · chain G against A, TM-score 0.99
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 6ULA · PDBe 6ULA · UniProt O94925
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.