Research workbench
Cyclohexylamine oxidase from brevibacterium oxydans ih-35A complexed with cyclohexanone
Analyse Cyclohexylamine oxidase from brevibacterium oxydans ih-35A complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I59
- Type
- protein
- Length
- 1,796 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclohexylamine oxidase
- Ligands
- FAD, CYH
- Pockets
- 15 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cyclohexylamine oxidase | protein | 449 | 38% helix, 22% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- CYH · Cyclohexanone · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.89 | 0.93 | 82 | FAD, CYH |
| 2 | 862 | 0.88 | 0.90 | 88 | FAD, CYH |
| 3 | 829 | 0.87 | 0.90 | 88 | FAD, CYH |
| 4 | 472 | 0.87 | 0.94 | 61 | FAD, CYH |
| 5 | 357 | 0.81 | 0.90 | 38 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1183 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 1172 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 531 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 527 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 167 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4I59 · Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexa · 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 4I59 · PDBe 4I59
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