Research workbench
Structure of SAM bound CALS10, an amino pentose methyltransferase from micromonospora echinaspora involved in calicheamicin biosynthesis
Analyse Structure of SAM bound CALS10, an amino pentose methyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UK5
- Type
- protein
- Length
- 476 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALS10
- UniProt
- Q8KNF4
- Ligands
- SAM
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALS10 | protein | 240 | 30% helix, 36% strand | Q8KNF4 |
| B | CALS10 | protein | 236 | 28% helix, 36% strand | Q8KNF4 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 593 | 0.77 | 0.83 | 58 | SAM, ACT, 1PE |
| 2 | 699 | 0.72 | 0.78 | 70 | SAM, ACT, 1PE |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6UK5 · Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora… · 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 Q8KNF4
- Elsewhere: RCSB PDB 6UK5 · PDBe 6UK5 · UniProt Q8KNF4
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