Research workbench
Crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis
Analyse Crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3Q8N
- Type
- protein
- Length
- 1,754 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-aminobutyrate transaminase
- EC
- 2.6.1.19
- UniProt
- A0QQ04
- Ligands
- SSN
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-aminobutyrate transaminase (EC 2.6.1.19) | protein | 438 | 41% helix, 18% strand | A0QQ04 |
| C, D | 4-aminobutyrate transaminase (EC 2.6.1.19) | protein | 439 | 41% helix, 18% strand | A0QQ04 |
Ligands and binding sites
- SSN · 4-oxobutanoic acid · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1145 | 0.83 | 0.84 | 129 | SSN |
| 2 | 657 | 0.79 | 0.84 | 68 | empty |
| 3 | 496 | 0.74 | 0.83 | 66 | SSN |
| 4 | 444 | 0.73 | 0.83 | 55 | SSN |
| 5 | 430 | 0.72 | 0.82 | 56 | SSN |
Interfaces
6 interfaces between chains.
- B–D · 4505 Ų buried · 87 hydrogen bonds · protein-protein
- A–C · 4480 Ų buried · 94 hydrogen bonds · protein-protein
- C–D · 1012 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 980 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 143 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3Q8N · Crystal structure of 4-aminobutyrate transaminase from Mycobacterium smegmatis · 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 A0QQ04
- Elsewhere: RCSB PDB 3Q8N · PDBe 3Q8N · UniProt A0QQ04
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