Research workbench
Crystal structure of chalcone isomerase engineered from ancestral inference (ANCR3)
Analyse Crystal structure of chalcone isomerase engineered from ancestral inference… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WL4
- Type
- protein
- Length
- 828 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Engineered chalcone isomerase ANCR3
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Engineered chalcone isomerase ANCR3 | protein | 207 | 39% helix, 29% strand | — |
Ligands and binding sites
- FMT · Formic acid · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 880 | 0.75 | 0.79 | 65 | empty |
| 2 | 116 | 0.45 | 0.78 | 26 | empty |
| 3 | 91 | 0.44 | 0.80 | 26 | empty |
| 4 | 106 | 0.42 | 0.77 | 19 | empty |
| 5 | 76 | 0.37 | 0.77 | 20 | empty |
Interfaces
6 interfaces between chains.
- A–D · 862 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 851 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 534 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 142 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 87 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5WL4 · Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3) · 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
- Elsewhere: RCSB PDB 5WL4 · PDBe 5WL4
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