MolNFT v1 · #33024 · protein + DNA
Hhai DNA methyltransferase complex with oligonucleotide containing 2- aminopurine outside the recognition sequence (paired with G) and sah
2C7Q · Modification methylase hhai: “Hhai DNA methyltransferase complex with oligonucleotide containing 2- aminopurine outside the recognition…”. X-ray diffraction, 2 ligands (SAH, SO4), 4 pockets (best druggability 0.74). MolNFT v1 #33024…
- PDB
- 2C7Q
- 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*(2PR)*GP*GP*(5CM)*GP*CP*TP*GP* AP*C)-3'…
- EC
- 2.1.1.37
- UniProt
- P05102
- Ligands
- SAH, SO4
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modification methylase hhai (EC 2.1.1.37) | protein | 327 | 33% helix, 19% strand | P05102 |
| C | 5'-D(*T*GP*GP*(2PR)*GP*GP*(5CM)*GP*CP*TP*GP* AP*C)-3' | dna | 13 | — | — |
| D | 5'-D(*T*GP*TP*CP*AP*GP*CP*GP*CP*CP*GP*CP*C)-3' | dna | 12 | — | — |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A, D
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CIT · Citric acid · additive · chains A
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 | 410 | 0.74 | 0.85 | 47 | SAH |
| 2 | 173 | 0.55 | 0.81 | 20 | empty |
| 3 | 63 | 0.31 | 0.76 | 13 | empty |
| 4 | 71 | 0.28 | 0.73 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–D · 967 Ų buried · 40 hydrogen bonds · protein-nucleic
- A–C · 843 Ų buried · 14 hydrogen bonds · protein-nucleic
- C–D · 531 Ų buried · 41 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 2C7Q · HhaI DNA methyltransferase complex with oligonucleotide containing 2- aminopurine outside… · 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 2C7Q · PDBe 2C7Q · UniProt P05102
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