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Room temperature serial crystal structure of glutaminase C in complex with inhibitor bptes
Analyse Room temperature serial crystal structure of glutaminase C in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RGG
- 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 68 kda chain
- EC
- 3.-.-.-
- UniProt
- O94925
- Ligands
- 04A
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Glutaminase kidney isoform, mitochondrial 68 kda chain (EC 3.-.-.-) | protein | 402 | 45% helix, 10% strand | O94925 |
| B, C | Glutaminase kidney isoform, mitochondrial 68 kda chain (EC 3.-.-.-) | protein | 403 | 46% helix, 11% strand | O94925 |
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 A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.86 | 0.87 | 123 | 04A |
| 2 | 1139 | 0.79 | 0.80 | 120 | empty |
| 3 | 480 | 0.69 | 0.80 | 47 | empty |
| 4 | 316 | 0.69 | 0.83 | 41 | empty |
| 5 | 210 | 0.62 | 0.82 | 33 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1961 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 1918 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 714 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 625 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 56 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7RGG · Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES · 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 C 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 7RGG · PDBe 7RGG · UniProt O94925
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