Research workbench
Crystal structure of the ALR8543 protein in complex with oleic acid and magnesium ion from nostoc sp. pcc 7120, northeast structural genomics consortium target NSR141
Analyse Crystal structure of the ALR8543 protein in complex with oleic acid and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6E12
- Type
- protein
- Length
- 422 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR8543 protein
- UniProt
- Q8YJY7
- Ligands
- OLA, MG, CL
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALR8543 protein | protein | 210 | 68% helix, 1% strand | Q8YJY7 |
| B | ALR8543 protein | protein | 212 | 67% helix, 1% strand | Q8YJY7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains B
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.67 | 0.79 | 44 | OLA, MG |
| 2 | 286 | 0.62 | 0.79 | 34 | OLA |
| 3 | 52 | 0.30 | 0.76 | 15 | empty |
| 4 | 54 | 0.29 | 0.75 | 16 | empty |
| 5 | 52 | 0.28 | 0.75 | 13 | CL |
Interfaces
1 interface between chains.
- A–B · 1682 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 6E12 · Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion… · 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 Q8YJY7
- Elsewhere: RCSB PDB 6E12 · PDBe 6E12 · UniProt Q8YJY7
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