MolNFT v1 · #81346 · protein
Crystal structure of human gac in complex with glutamate
3UNW · Glutaminase kidney isoform, mitochondrial: “Crystal structure of human gac in complex with glutamate”. X-ray diffraction, 1 ligand (GLU), 10 pockets (best druggability 0.75). MolNFT v1 #81346 on GenesisL1: 3D structure, binding…
- PDB
- 3UNW
- Type
- protein
- Length
- 1,610 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
- GLU
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 407 | 50% helix, 11% strand | O94925 |
| B | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 400 | 51% helix, 11% strand | O94925 |
| C | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 400 | 51% helix, 12% strand | O94925 |
| D | Glutaminase kidney isoform, mitochondrial (EC 3.5.1.2) | protein | 403 | 51% helix, 10% strand | O94925 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1055 | 0.75 | 0.78 | 106 | GLU |
| 2 | 1139 | 0.74 | 0.77 | 119 | GLU |
| 3 | 432 | 0.70 | 0.81 | 47 | empty |
| 4 | 414 | 0.69 | 0.81 | 46 | empty |
| 5 | 69 | 0.54 | 0.86 | 15 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1701 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 1679 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 546 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 542 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3UNW · Crystal Structure of Human GAC in Complex with Glutamate · the same entry in another collection · chain A against A, TM-score 1.00
- O94925 · AlphaFold monomer V2.0 prediction for glutaminase kidney isoform, mitochondrial (O94925) · a predicted model of the same protein · chain B 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 3UNW · PDBe 3UNW · UniProt O94925
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