MolNFT v1 · #10667 · protein
Crystal structure of eschelichia COLI branched-chain amino acid aminotransferase
1IYE: “Crystal structure of eschelichia COLI branched-chain amino acid aminotransferase”. X-ray diffraction, 1 ligand (PGU), 10 pockets (best druggability 0.81). MolNFT v1 #10667 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1IYE
- Type
- protein
- Length
- 912 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain amino acid aminotransferase
- EC
- 2.6.1.42
- UniProt
- P0AB80
- Ligands
- PGU
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Branched-chain amino acid aminotransferase (EC 2.6.1.42) | protein | 304 | 30% helix, 28% strand | P0AB80 |
Ligands and binding sites
- PGU · N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.81 | 0.86 | 55 | empty |
| 2 | 320 | 0.74 | 0.86 | 32 | empty |
| 3 | 330 | 0.74 | 0.86 | 48 | empty |
| 4 | 182 | 0.70 | 0.88 | 41 | PGU |
| 5 | 213 | 0.69 | 0.87 | 44 | PGU |
Interfaces
3 interfaces between chains.
- B–C · 640 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 626 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 621 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1IYE · Crystal structure of eschelichia COLI branched-chain amino acid aminotransferase · the same entry in another collection · chain B against B, TM-score 1.00
- P0AB80 · AlphaFold monomer V2.0 prediction for branched-chain-amino-acid aminotransferase (P0AB80) · a predicted model of the same protein · chain C 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 P0AB80
- Elsewhere: RCSB PDB 1IYE · PDBe 1IYE · UniProt P0AB80
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