MolNFT v1 · #147077 · protein
ATGH3.15 acyl acid amido synthetase in complex with 2,4-db
6E1Q: “ATGH3.15 acyl acid amido synthetase in complex with 2,4-db”. X-ray diffraction, 2 ligands (CFA, PO4), 6 pockets (best druggability 0.86). MolNFT v1 #147077 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6E1Q
- Type
- protein
- Length
- 569 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATGH3.15 acyl acid amido synthetase
- EC
- 6.3.2.-
- UniProt
- Q8GZ29
- Ligands
- CFA, PO4
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATGH3.15 acyl acid amido synthetase (EC 6.3.2.-) | protein | 569 | 42% helix, 22% strand | Q8GZ29 |
Ligands and binding sites
- CFA · (2,4-dichlorophenoxy)acetic acid · ligand · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.86 | 0.86 | 77 | CFA |
| 2 | 519 | 0.75 | 0.83 | 55 | PO4 |
| 3 | 68 | 0.49 | 0.85 | 22 | empty |
| 4 | 202 | 0.48 | 0.75 | 28 | empty |
| 5 | 53 | 0.34 | 0.78 | 11 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6E1Q · AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB · the same entry in another collection · chain A against A, TM-score 1.00
- Q8GZ29 · AlphaFold monomer V2.0 prediction for indole-3-acetic acid-amido synthetase GH3.15… · a predicted model of the same protein · chain A against A, TM-score 0.77
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 Q8GZ29
- Elsewhere: RCSB PDB 6E1Q · PDBe 6E1Q · UniProt Q8GZ29
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