Research workbench
Sxta methyltransferase and decarboxylase didomain in complex with MN2+ and sah
Analyse Sxta methyltransferase and decarboxylase didomain in complex with MN2+ and sah in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UCI
- Type
- protein
- Length
- 1,356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase-related protein
- UniProt
- B3EYF9
- Ligands
- SAH, MN
- Pockets
- 17 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase-related protein | protein | 686 | 47% helix, 16% strand | B3EYF9 |
| B | Polyketide synthase-related protein | protein | 670 | 48% helix, 15% strand | B3EYF9 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.75 | 0.87 | 43 | empty |
| 2 | 638 | 0.72 | 0.80 | 72 | empty |
| 3 | 617 | 0.71 | 0.79 | 58 | SAH, MN |
| 4 | 598 | 0.70 | 0.79 | 66 | GOL |
| 5 | 596 | 0.70 | 0.78 | 63 | SAH, MN |
Interfaces
1 interface between chains.
- A–B · 514 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7UCI · SxtA Methyltransferase and decarboxylase didomain in complex with Mn2+ and SAH · the same entry in another collection · chain B against B, 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 7UCI · PDBe 7UCI · UniProt B3EYF9
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