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Structure of a putative acetyltransferase (ACIAD1637) from acinetobacter baylyi ADP1
Analyse Structure of a putative acetyltransferase (ACIAD1637) from acinetobacter baylyi… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JLM
- Type
- protein
- Length
- 1,074 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative phosphinothricin N-acetyltransferase
- UniProt
- Q6FBS8
- Ligands
- NA, AZI
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 33% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative phosphinothricin N-acetyltransferase | protein | 177 | 33% helix, 33% strand | Q6FBS8 |
| B | Putative phosphinothricin N-acetyltransferase | protein | 179 | 35% helix, 32% strand | Q6FBS8 |
| D | Putative phosphinothricin N-acetyltransferase | protein | 182 | 34% helix, 34% strand | Q6FBS8 |
| E | Putative phosphinothricin N-acetyltransferase | protein | 179 | 32% helix, 34% strand | Q6FBS8 |
| F | Putative phosphinothricin N-acetyltransferase | protein | 180 | 33% helix, 31% strand | Q6FBS8 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains C, D, E, F
- AZI · Azide ion · ion · 5 copies · chains C, E, F
- ACT · Acetate ion · additive · 15 copies · chains A, C, B, D, E, F
- PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1179 | 0.84 | 0.85 | 124 | ACT |
| 2 | 1035 | 0.80 | 0.81 | 103 | ACT, NA, AZI |
| 3 | 1039 | 0.79 | 0.81 | 103 | ACT, NA |
| 4 | 124 | 0.40 | 0.75 | 19 | empty |
| 5 | 77 | 0.31 | 0.73 | 21 | PEG |
Interfaces
6 interfaces between chains.
- A–B · 1722 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1720 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 1718 Ų buried · 27 hydrogen bonds · protein-protein
- D–E · 891 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 339 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2JLM · Structure of a Putative Acetyltransferase (ACIAD1637) from Acinetobacter baylyi ADP1 · 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 Q6FBS8
- Elsewhere: RCSB PDB 2JLM · PDBe 2JLM · UniProt Q6FBS8
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