Research workbench
Crystal structure of tcoye with phba
Analyse Crystal structure of tcoye with phba in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ATZ
- Type
- protein
- Length
- 1,492 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin F2A synthase
- UniProt
- Q8I6L9
- Ligands
- FMN, HBA
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin F2A synthase | protein | 368 | 36% helix, 14% strand | Q8I6L9 |
| B | Prostaglandin F2A synthase | protein | 374 | 36% helix, 15% strand | Q8I6L9 |
| C | Prostaglandin F2A synthase | protein | 374 | 35% helix, 15% strand | Q8I6L9 |
| D | Prostaglandin F2A synthase | protein | 376 | 35% helix, 15% strand | Q8I6L9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- HBA · P-hydroxybenzaldehyde · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 440 | 0.71 | 0.81 | 41 | FMN, HBA |
| 2 | 446 | 0.71 | 0.81 | 42 | FMN, HBA |
| 3 | 446 | 0.70 | 0.81 | 43 | FMN, HBA |
| 4 | 456 | 0.70 | 0.80 | 41 | FMN, HBA |
| 5 | 401 | 0.60 | 0.76 | 30 | empty |
Interfaces
2 interfaces between chains.
- A–B · 285 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 281 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3ATZ · Crystal structure of TcOYE with pHBA · 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 Q8I6L9
- Elsewhere: RCSB PDB 3ATZ · PDBe 3ATZ · UniProt Q8I6L9
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