Research workbench
Sxta methyltransferase variant F458H in complex with MN2+ and malonate
Analyse Sxta methyltransferase variant F458H in complex with MN2+ and malonate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UCL
- Type
- protein
- Length
- 1,232 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase-related protein
- UniProt
- B3EYF9
- Ligands
- MN
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polyketide synthase-related protein | protein | 616 | 51% helix, 14% strand | B3EYF9 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.80 | 0.82 | 83 | MLI, MN |
| 2 | 957 | 0.78 | 0.80 | 81 | MLI, MN |
| 3 | 272 | 0.54 | 0.76 | 36 | empty |
| 4 | 136 | 0.48 | 0.78 | 26 | empty |
| 5 | 168 | 0.48 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1294 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 7UCL · SxtA Methyltransferase variant F458H in complex with Mn2+ and malonate · 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 B3EYF9
- Elsewhere: RCSB PDB 7UCL · PDBe 7UCL · UniProt B3EYF9
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