Research workbench
Ternary structure of the GLU119GLN M.HHAI, C5-cytosine DNA methyltransferase, with unmodified DNA and adohcy
Analyse Ternary structure of the GLU119GLN M.HHAI, C5-cytosine DNA methyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZCJ
- Type
- protein + DNA
- Length
- 352 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*DGP*DAP*DTP*DAP*DGP*DCP*DGP*DCP*DTP*DAP*DTP*DC)- 3'); DNA (5'…
- EC
- 2.1.1.37
- UniProt
- P05102
- Ligands
- SAH
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | DNA (5'-D(*DGP*DAP*DTP*DAP*DGP*DCP*DGP*DCP*DTP*DAP*DTP*DC)- 3') | dna | 12 | — | — |
| D | DNA (5'- D(*DTP*DGP*DAP*DTP*DAP*DGP*DCP*DGP*DCP*DTP*DAP*DTP*DC)-3') | dna | 13 | — | — |
| A | Modification methylase hhai (EC 2.1.1.37) | protein | 327 | 33% helix, 19% strand | P05102 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.72 | 0.87 | 37 | SAH |
| 2 | 151 | 0.56 | 0.82 | 18 | empty |
| 3 | 58 | 0.37 | 0.79 | 16 | empty |
| 4 | 94 | 0.35 | 0.75 | 17 | empty |
| 5 | 64 | 0.30 | 0.75 | 12 | empty |
Interfaces
3 interfaces between chains.
- D–A · 1014 Ų buried · 43 hydrogen bonds · protein-nucleic
- C–A · 720 Ų buried · 9 hydrogen bonds · protein-nucleic
- C–D · 539 Ų buried · 41 hydrogen bonds · nucleic-nucleic
Compared structures
- 2ZCJ · Ternary structure of the Glu119Gln M.HhaI, C5-Cytosine DNA methyltransferase, with… · 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 2ZCJ · PDBe 2ZCJ · UniProt P05102
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