Research workbench
Crystal structure of OHYA(E82A)-18:1/H18:0-FAD complex from staphylococcus aureus
Analyse Crystal structure of OHYA(E82A)-18:1/H18:0-FAD complex from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KAZ
- Type
- protein
- Length
- 1,746 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oleate hydratase
- UniProt
- A0A0D6GJV1
- Ligands
- FAD, OLA, WAD, K
- Pockets
- 16 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Oleate hydratase | protein | 579 | 39% helix, 17% strand | A0A0D6GJV1 |
| B | Oleate hydratase | protein | 584 | 37% helix, 17% strand | A0A0D6GJV1 |
| A | Oleate hydratase | protein | 583 | 37% helix, 17% strand | A0A0D6GJV1 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains C, B
- OLA · Oleic acid · ligand · 2 copies · chains B, A
- WAD · (10R)-10-hydroxyoctadecanoic acid · ligand · chains C
- K · Potassium ion · metal · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.86 | 0.87 | 101 | WAD, FAD |
| 2 | 1122 | 0.85 | 0.86 | 101 | OLA, FAD |
| 3 | 589 | 0.84 | 0.88 | 73 | OLA |
| 4 | 731 | 0.75 | 0.80 | 61 | empty |
| 5 | 63 | 0.71 | 0.97 | 26 | empty |
Interfaces
2 interfaces between chains.
- C–A · 2344 Ų buried · 42 hydrogen bonds · protein-protein
- C–B · 405 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7KAZ · Crystal structure of OhyA(E82A)-18:1/h18:0-FAD complex from Staphylococcus aureus · the same entry in another collection · chain C against C, 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 A0A0D6GJV1
- Elsewhere: RCSB PDB 7KAZ · PDBe 7KAZ · UniProt A0A0D6GJV1
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