Research workbench
Crystal structure of zhui AROMATASE/CYCLASE from streptomcyes sp. R1128
Analyse Crystal structure of zhui AROMATASE/CYCLASE from streptomcyes sp. R1128 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TFZ
- Type
- protein
- Length
- 987 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclase
- UniProt
- Q9F6D3
- Ligands
- K
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 30% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclase | protein | 168 | 30% helix, 46% strand | Q9F6D3 |
| B | Cyclase | protein | 165 | 29% helix, 44% strand | Q9F6D3 |
| C, D | Cyclase | protein | 164 | 30% helix, 45% strand | Q9F6D3 |
| E | Cyclase | protein | 165 | 30% helix, 46% strand | Q9F6D3 |
| F | Cyclase | protein | 161 | 30% helix, 48% strand | Q9F6D3 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B, E, F
- CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · 7 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.85 | 0.98 | 30 | CXS |
| 2 | 194 | 0.84 | 0.97 | 29 | CXS |
| 3 | 291 | 0.83 | 0.93 | 34 | CXS |
| 4 | 227 | 0.83 | 0.95 | 31 | CXS |
| 5 | 269 | 0.81 | 0.92 | 34 | CXS |
Interfaces
10 interfaces between chains.
- A–E · 841 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 588 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 563 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 546 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 457 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3TFZ · Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128 · 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 Q9F6D3
- Elsewhere: RCSB PDB 3TFZ · PDBe 3TFZ · UniProt Q9F6D3
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