Research workbench
Crystal structure of sulfolobus solfataricus O6-methylguanine methyltransferase C119F variant
Analyse Crystal structure of sulfolobus solfataricus O6-methylguanine methyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5LLQ
- Type
- protein
- Length
- 299 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylated-DNA--protein-cysteine methyltransferase
- EC
- 2.1.1.63
- UniProt
- Q97VW7
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) | protein | 151 | 33% helix, 19% strand | Q97VW7 |
| B | Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) | protein | 148 | 34% helix, 18% strand | Q97VW7 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.65 | 0.78 | 40 | empty |
| 2 | 74 | 0.32 | 0.74 | 17 | GOL |
| 3 | 53 | 0.28 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 429 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5LLQ · Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase C119F… · the same entry in another collection · chain A against A, TM-score 1.00
- Q97VW7 · AlphaFold monomer V2.0 prediction for methylated-DNA--protein- cysteine methyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q97VW7
- Elsewhere: RCSB PDB 5LLQ · PDBe 5LLQ · UniProt Q97VW7
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