MolNFT v1 · #147762 · protein + DNA
Structure of the TN1549 transposon integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6A-DNA)
6EN1 · Int protein: “Structure of the TN1549 transposon integrase (aa 82-397, R225K) in complex with a circular intermediate DNA…”. X-ray diffraction, 16 pockets (best druggability 0.70). MolNFT v1 #147762 on GenesisL1: 3D structure…
- PDB
- 6EN1
- Type
- protein + DNA
- Length
- 707 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Int protein; DNA (45-mer)
- UniProt
- Q7BP35
- Pockets
- 16 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Int protein | protein | 316 | 55% helix, 9% strand | Q7BP35 |
| C | DNA (45-mer) | dna | 38 | — | — |
| D | DNA (45-mer) | dna | 37 | — | — |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 442 | 0.70 | 0.81 | 40 | empty |
| 2 | 204 | 0.68 | 0.86 | 33 | empty |
| 3 | 200 | 0.66 | 0.85 | 34 | empty |
| 4 | 317 | 0.65 | 0.81 | 31 | empty |
| 5 | 404 | 0.62 | 0.77 | 51 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1692 Ų buried · 134 hydrogen bonds · nucleic-nucleic
- A–B · 1396 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1293 Ų buried · 23 hydrogen bonds · protein-nucleic
- D–B · 1257 Ų buried · 24 hydrogen bonds · protein-nucleic
- C–B · 1150 Ų buried · 22 hydrogen bonds · protein-nucleic
Compared structures
- 6EN1 · Structure of the Tn1549 transposon Integrase (aa 82-397, R225K) in complex with a… · 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 Q7BP35
- Elsewhere: RCSB PDB 6EN1 · PDBe 6EN1 · UniProt Q7BP35
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