MolNFT v1 · #22120 · protein
Structure of the Q237W mutant of hhai DNA methyltransferase: an insight into protein-protein interactions
1SVU · Modification methylase hhai: “Structure of the Q237W mutant of hhai DNA methyltransferase: an insight into protein-protein interactions”. X-ray diffraction, 3 ligands (SAH, UNX, SO4), 6 pockets (best druggability 0.63). MolNFT v1…
- PDB
- 1SVU
- Type
- protein
- Length
- 621 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Modification methylase hhai
- EC
- 2.1.1.37
- UniProt
- P05102
- Ligands
- SAH, UNX, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modification methylase hhai (EC 2.1.1.37) | protein | 307 | 32% helix, 20% strand | P05102 |
| B | Modification methylase hhai (EC 2.1.1.37) | protein | 314 | 29% helix, 19% strand | P05102 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · 17 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.63 | 0.79 | 43 | SAH |
| 2 | 208 | 0.61 | 0.82 | 29 | SAH |
| 3 | 192 | 0.51 | 0.77 | 30 | UNX |
| 4 | 67 | 0.50 | 0.85 | 17 | empty |
| 5 | 85 | 0.41 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1SVU · Structure of the Q237W mutant of HhaI DNA methyltransferase: an insight into… · the same entry in another collection · chain A against A, TM-score 1.00
- P05102 · AlphaFold monomer V2.0 prediction for modification methylase hhai (P05102) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P05102
- Elsewhere: RCSB PDB 1SVU · PDBe 1SVU · UniProt P05102
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