Research workbench
Synechococcus olefin synthase faal domain R336A in complex with stearoyl adenylate and pyrophosphate
Analyse Synechococcus olefin synthase faal domain R336A in complex with stearoyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R7F
- Type
- protein
- Length
- 1,134 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase
- EC
- 6.2.1.20
- UniProt
- B1XKC6
- Ligands
- POP, 1T1, MG
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polyketide synthase (EC 6.2.1.20) | protein | 567 | 36% helix, 28% strand | B1XKC6 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · 2 copies · chains A, B
- 1T1 · stearoyl adenylate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 969 | 0.86 | 0.88 | 111 | POP, 1T1, MG |
| 2 | 1197 | 0.85 | 0.86 | 127 | POP, 1T1, MG |
| 3 | 773 | 0.69 | 0.76 | 46 | ACT |
| 4 | 93 | 0.64 | 0.90 | 24 | empty |
| 5 | 162 | 0.45 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 632 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7R7F · Synechococcus Olefin Synthase FAAL domain R336A in complex with stearoyl adenylate and… · 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 B1XKC6
- Elsewhere: RCSB PDB 7R7F · PDBe 7R7F · UniProt B1XKC6
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