MolNFT v1 · #96477 · protein
Crystal structure of mouse glutaminase C, bptes-bound form
4JKT · Glutaminase kidney isoform, mitochondrial: “Crystal structure of mouse glutaminase C, bptes-bound form”. X-ray diffraction, 1 ligand (04A), 9 pockets (best druggability 0.85). MolNFT v1 #96477 on GenesisL1: 3D structure, binding…
- PDB
- 4JKT
- Type
- protein
- Length
- 1,563 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
- D3Z7P3
- Ligands
- 04A
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 395 | 47% helix, 11% strand | D3Z7P3 |
| B | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 383 | 48% helix, 11% strand | D3Z7P3 |
| C | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 397 | 48% helix, 11% strand | D3Z7P3 |
| D | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 388 | 47% helix, 12% strand | D3Z7P3 |
Ligands and binding sites
- 04A · N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) · ligand · 2 copies · chains B, C, A, 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.85 | 0.86 | 126 | 04A |
| 2 | 1020 | 0.81 | 0.82 | 118 | empty |
| 3 | 377 | 0.72 | 0.84 | 43 | empty |
| 4 | 372 | 0.71 | 0.83 | 41 | empty |
| 5 | 148 | 0.46 | 0.77 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1902 Ų buried · 27 hydrogen bonds · protein-protein
- B–D · 1805 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 646 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 620 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 49 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4JKT · Crystal structure of mouse Glutaminase C, BPTES-bound form · the same entry in another collection · chain D against D, TM-score 1.00
- D3Z7P3 · AlphaFold monomer V2.0 prediction for glutaminase kidney isoform, mitochondrial (D3Z7P3) · a predicted model of the same protein · chain A 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 D3Z7P3
- Elsewhere: RCSB PDB 4JKT · PDBe 4JKT · UniProt D3Z7P3
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