MolNFT v1 · #39037 · protein
X-ray crystal structure of oxidized human mitochondrial branched chain aminotransferase (hbcatm)
2HHF · Branched-chain-amino-acid aminotransferase, mitochondrial: “X-ray crystal structure of oxidized human mitochondrial branched chain aminotransferase (hbcatm)”. X-ray diffraction, 1 ligand (PLP), 5 pockets (best druggability 0.73).…
- PDB
- 2HHF
- Type
- protein
- Length
- 712 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain-amino-acid aminotransferase, mitochondrial
- EC
- 2.6.1.42
- UniProt
- O15382
- Ligands
- PLP
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Branched-chain-amino-acid aminotransferase, mitochondrial (EC 2.6.1.42) | protein | 347 | 26% helix, 31% strand | O15382 |
| B | Branched-chain-amino-acid aminotransferase, mitochondrial | protein | 365 | 25% helix, 29% strand | O15382 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.73 | 0.84 | 45 | PLP, EPE |
| 2 | 528 | 0.73 | 0.81 | 60 | PLP |
| 3 | 74 | 0.72 | 0.97 | 33 | empty |
| 4 | 80 | 0.67 | 0.93 | 22 | empty |
| 5 | 76 | 0.39 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2368 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified, 2 cofactor, 2 disulfide (pyridoxal phosphate Schiff base, disulfide, oxidation, nonstandard).
Compared structures
- 2HHF · X-ray crystal structure of oxidized human mitochondrial branched chain aminotransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- O15382 · AlphaFold monomer V2.0 prediction for branched-chain-amino-acid aminotransferase… · a predicted model of the same protein · chain B 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 O15382
- Elsewhere: RCSB PDB 2HHF · PDBe 2HHF · UniProt O15382
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