MolNFT v1 · #91507 · protein
Crystal structure of a 4-aminobutyrate aminotransferase (gabt) from mycobacterium abscessus
4FFC: “Crystal structure of a 4-aminobutyrate aminotransferase (gabt) from mycobacterium abscessus”. X-ray diffraction, 9 pockets (best druggability 0.84). MolNFT v1 #91507 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FFC
- Type
- protein
- Length
- 1,774 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-aminobutyrate aminotransferase (gabt)
- UniProt
- B1MIQ9
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-aminobutyrate aminotransferase (gabt) | protein | 444 | 40% helix, 17% strand | B1MIQ9 |
| B, D | 4-aminobutyrate aminotransferase (gabt) | protein | 443 | 40% helix, 17% strand | B1MIQ9 |
| C | 4-aminobutyrate aminotransferase (gabt) | protein | 444 | 40% helix, 17% strand | B1MIQ9 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.84 | 0.85 | 101 | empty |
| 2 | 857 | 0.83 | 0.86 | 69 | empty |
| 3 | 283 | 0.73 | 0.86 | 40 | empty |
| 4 | 272 | 0.70 | 0.85 | 40 | empty |
| 5 | 317 | 0.62 | 0.79 | 35 | empty |
Interfaces
6 interfaces between chains.
- A–B · 4658 Ų buried · 96 hydrogen bonds · protein-protein
- C–D · 4649 Ų buried · 97 hydrogen bonds · protein-protein
- B–D · 957 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 956 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 73 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 4FFC · Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium… · 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 B1MIQ9
- Elsewhere: RCSB PDB 4FFC · PDBe 4FFC · UniProt B1MIQ9
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