MolNFT v1 · #33022 · protein + DNA
Hhai DNA methyltransferase complex with 13MER oligonucleotide containing 2-aminopurine adjacent to the target base (PCGC:GMGC) and sah
2C7O · Modification methylase hhai: “Hhai DNA methyltransferase complex with 13MER oligonucleotide containing 2-aminopurine adjacent to the target…”. X-ray diffraction, 2 ligands (SAH, SO4), 4 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 2C7O
- Type
- protein + DNA
- Length
- 352 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Modification methylase hhai; 5'-D(*T*GP*GP*AP*TP*GP*(5CM)*GP*CP*TP*GP*AP *C)-3'…
- EC
- 2.1.1.37
- UniProt
- P05102
- Ligands
- SAH, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modification methylase hhai (EC 2.1.1.37) | protein | 327 | 32% helix, 19% strand | P05102 |
| C | 5'-D(*T*GP*GP*AP*TP*GP*(5CM)*GP*CP*TP*GP*AP *C)-3' | dna | 13 | — | — |
| D | 5'-D(*T*GP*TP*CP*AP*(2PR)*CP*GP*CP*AP*TP*CP *C)-3' | dna | 12 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 455 | 0.76 | 0.85 | 54 | SAH |
| 2 | 168 | 0.54 | 0.80 | 27 | empty |
| 3 | 58 | 0.33 | 0.78 | 11 | empty |
| 4 | 74 | 0.30 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–D · 968 Ų buried · 37 hydrogen bonds · protein-nucleic
- A–C · 845 Ų buried · 15 hydrogen bonds · protein-nucleic
- C–D · 527 Ų buried · 40 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 2C7O · HhaI DNA methyltransferase complex with 13mer oligonucleotide containing 2-aminopurine… · the same entry in another collection · chain C against C, 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 2C7O · PDBe 2C7O · UniProt P05102
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