MolNFT v1 · #181447 · protein
Crystal structure of branched-chain amino acid aminotransferase from giardia lamblia atcc 50803
7LV7: “Crystal structure of branched-chain amino acid aminotransferase from giardia lamblia atcc 50803”. X-ray diffraction, 2 ligands (MG, CL), 17 pockets (best druggability 0.80). MolNFT v1 #181447 on GenesisL1: 3D structure, binding…
- PDB
- 7LV7
- Type
- protein
- Length
- 1,426 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain amino acid aminotransferase
- EC
- 2.6.1.42
- UniProt
- E2RU99
- Ligands
- MG, CL
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Branched-chain amino acid aminotransferase (EC 2.6.1.42) | protein | 357 | 25% helix, 32% strand | E2RU99 |
| B, C | Branched-chain amino acid aminotransferase (EC 2.6.1.42) | protein | 356 | 26% helix, 32% strand | E2RU99 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains B, C
- CL · Chloride ion · ion · 2 copies · chains B, C
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1042 | 0.80 | 0.81 | 78 | MG |
| 2 | 108 | 0.74 | 0.95 | 29 | empty |
| 3 | 104 | 0.74 | 0.96 | 30 | empty |
| 4 | 352 | 0.70 | 0.83 | 35 | EDO |
| 5 | 297 | 0.69 | 0.84 | 30 | EDO |
Interfaces
3 interfaces between chains.
- C–D · 2492 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 2485 Ų buried · 32 hydrogen bonds · protein-protein
- B–C · 446 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 7LV7 · Crystal Structure of Branched-chain amino acid aminotransferase from Giardia lamblia ATCC… · 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 E2RU99
- Elsewhere: RCSB PDB 7LV7 · PDBe 7LV7 · UniProt E2RU99
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