Research workbench
Crystal structure of insect putative arylalkylamine N- acetyltransferase 7 from the yellow fever mosquito aedes aegypt
Analyse Crystal structure of insect putative arylalkylamine N- acetyltransferase 7 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FD7
- Type
- protein
- Length
- 948 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative arylalkylamine N-acetyltransferase 7
- EC
- 2.3.1.87
- UniProt
- Q16KU7
- Ligands
- IOD, SO4
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative arylalkylamine N-acetyltransferase 7 (EC 2.3.1.87) | protein | 237 | 43% helix, 27% strand | Q16KU7 |
Ligands and binding sites
- IOD · Iodide ion · ion · 14 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 3 copies · chains B, C, D
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, C, D
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 | 1093 | 0.86 | 0.87 | 120 | SO4 |
| 2 | 502 | 0.82 | 0.89 | 70 | SO4 |
| 3 | 550 | 0.82 | 0.88 | 73 | EDO |
| 4 | 546 | 0.74 | 0.82 | 62 | empty |
| 5 | 256 | 0.70 | 0.86 | 39 | IOD |
Interfaces
5 interfaces between chains.
- B–C · 653 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 614 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 522 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 295 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 91 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FD7 · Crystal structure of insect putative arylalkylamine N-Acetyltransferase 7 from the yellow… · 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 Q16KU7
- Elsewhere: RCSB PDB 4FD7 · PDBe 4FD7 · UniProt Q16KU7
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