MolNFT v1 · #24661 · protein
Crystal structure of T.TH HB8 glutamine aminotransferase complex with 3-phenylpropionate
1V2F: “Crystal structure of T.TH HB8 glutamine aminotransferase complex with 3-phenylpropionate”. X-ray diffraction, 2 ligands (PLP, HCI), 8 pockets (best druggability 0.79). MolNFT v1 #24661 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1V2F
- Type
- protein
- Length
- 735 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine aminotransferase
- EC
- 2.6.1.15
- UniProt
- Q75WK2
- Ligands
- PLP, HCI
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamine aminotransferase (EC 2.6.1.15) | protein | 368 | 43% helix, 17% strand | Q75WK2 |
| B | Glutamine aminotransferase (EC 2.6.1.15) | protein | 367 | 43% helix, 17% strand | Q75WK2 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- HCI · Hydrocinnamic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.79 | 0.97 | 30 | PLP, HCI |
| 2 | 110 | 0.79 | 0.98 | 29 | PLP, HCI |
| 3 | 259 | 0.51 | 0.75 | 44 | empty |
| 4 | 252 | 0.50 | 0.74 | 42 | empty |
| 5 | 213 | 0.47 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 3231 Ų buried · 50 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1V2F · Crystal Structure of T.th HB8 Glutamine Aminotransferase complex with 3-phenylpropionate · the same entry in another collection · chain A 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 Q75WK2
- Elsewhere: RCSB PDB 1V2F · PDBe 1V2F · UniProt Q75WK2
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