Research workbench
A hypothetical aminotransferase from mycobacterium tuberculosis, apo form
Analyse A hypothetical aminotransferase from mycobacterium tuberculosis, apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q1Q
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable amino acid aminotransferase
- UniProt
- Q79FW0
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable amino acid aminotransferase | protein | 284 | 33% helix, 29% strand | Q79FW0 |
| B | Probable amino acid aminotransferase | protein | 286 | 33% helix, 28% strand | Q79FW0 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- CIT · Citric acid · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.86 | 0.91 | 81 | CIT, EDO |
| 2 | 319 | 0.69 | 0.83 | 46 | empty |
| 3 | 134 | 0.43 | 0.76 | 34 | empty |
| 4 | 65 | 0.38 | 0.79 | 17 | empty |
| 5 | 91 | 0.37 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2152 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6Q1Q · A hypothetical aminotransferase from Mycobacterium tuberculosis, apo form · 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 Q79FW0
- Elsewhere: RCSB PDB 6Q1Q · PDBe 6Q1Q · UniProt Q79FW0
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