MolNFT v1 · #106245 · protein + DNA
A non-cognate complex of escherichia COLI DNA adenine methyltransferase (dam) with DNA and sinefungin
4RTJ · DNA adenine methylase: “A non-cognate complex of escherichia COLI DNA adenine methyltransferase (dam) with DNA and sinefungin”. X-ray diffraction, 1 ligand (SFG), 2 pockets (best druggability 0.62). MolNFT v1 #106245 on GenesisL1…
- PDB
- 4RTJ
- Type
- protein + DNA
- Length
- 275 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA adenine methylase; DNA (5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3')
- UniProt
- H0Q7C9
- Ligands
- SFG
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA adenine methylase | protein | 251 | 41% helix, 16% strand | H0Q7C9 |
| F, G | DNA (5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3') | dna | 12 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.62 | 0.77 | 49 | SFG |
| 2 | 80 | 0.33 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- F–G · 447 Ų buried · 40 hydrogen bonds · nucleic-nucleic
- A–G · 372 Ų buried · 8 hydrogen bonds · protein-nucleic
- A–F · 22 Ų buried · 0 hydrogen bonds · protein-nucleic
Compared structures
- 4RTJ · A non-cognate complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with DNA… · the same entry in another collection · chain A against A, 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 H0Q7C9
- Elsewhere: RCSB PDB 4RTJ · PDBe 4RTJ · UniProt H0Q7C9
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