Research workbench
X-Ray Crystal Structure of Tribolium castaneum Arylalkylamine N-acyltransferase in Complex with Acetyl-CoA
Analyse X-Ray Crystal Structure of Tribolium castaneum Arylalkylamine N-acyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6V3T
- Type
- protein
- Length
- 1,278 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.84
- Source
- Tribolium castaneum
- Molecule
- Dopamine N-acetyltransferase-like Protein
- UniProt
- D2A2Z2
- Ligands
- ACO
- Pockets
- 14 · best druggability 0.88
Structure
x-ray diffraction · resolution 2.84 · 1 distinct chain · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, G | Dopamine N-acetyltransferase-like Protein | protein | 213 | 43% helix, 24% strand | D2A2Z2 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 6 copies · chains A, B, C, G, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.88 | 0.89 | 138 | ACO |
| 2 | 1175 | 0.86 | 0.87 | 129 | ACO |
| 3 | 764 | 0.82 | 0.85 | 79 | ACO |
| 4 | 715 | 0.81 | 0.85 | 74 | ACO |
| 5 | 200 | 0.46 | 0.74 | 38 | empty |
Interfaces
7 interfaces between chains.
- C–G · 452 Ų buried · 6 hydrogen bonds · protein-protein
- A–E · 441 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 422 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 417 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 29 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6V3T · X-ray crystal structure of tribolium castaneum arylalkylamine N- acyltransferase in… · 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 D2A2Z2
- Elsewhere: RCSB PDB 6V3T · PDBe 6V3T · UniProt D2A2Z2
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