Research workbench
Crystal structure of hypothetical methyltransferase TTHA0223 from thermus thermophilus HB8 complexed with S-adenosylmethionine
Analyse Crystal structure of hypothetical methyltransferase TTHA0223 from thermus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2YQZ
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHA0223
- EC
- 2.1.1.-
- UniProt
- Q5SLS0
- Ligands
- SAM
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein TTHA0223 (EC 2.1.1.-) | protein | 261 | 45% helix, 24% strand | Q5SLS0 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 888 | 0.78 | 0.81 | 68 | SAM |
| 2 | 849 | 0.77 | 0.80 | 74 | SAM |
| 3 | 109 | 0.60 | 0.86 | 17 | empty |
| 4 | 120 | 0.46 | 0.78 | 22 | empty |
| 5 | 59 | 0.31 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 752 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2YQZ · Crystal Structure of Hypothetical Methyltransferase TTHA0223 from Thermus thermophilus… · 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 Q5SLS0
- Elsewhere: RCSB PDB 2YQZ · PDBe 2YQZ · UniProt Q5SLS0
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