MolNFT v1 · #147763 · protein + DNA
Structure of the TN1549 transposon integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6B-DNA)
6EN2 · Int protein: “Structure of the TN1549 transposon integrase (aa 82-397, R225K) in complex with a circular intermediate DNA…”. X-ray diffraction, 17 pockets (best druggability 0.70). MolNFT v1 #147763 on GenesisL1: 3D structure…
- PDB
- 6EN2
- Type
- protein + DNA
- Length
- 699 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Int protein; DNA (45-mer)
- UniProt
- Q7BP35
- Pockets
- 17 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Int protein | protein | 314 | 54% helix, 9% strand | Q7BP35 |
| C | DNA (45-mer) | dna | 35 | — | — |
| D | DNA (45-mer) | dna | 36 | — | — |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.70 | 0.87 | 31 | empty |
| 2 | 234 | 0.70 | 0.86 | 28 | PEG |
| 3 | 128 | 0.61 | 0.86 | 24 | empty |
| 4 | 369 | 0.60 | 0.77 | 42 | empty |
| 5 | 117 | 0.59 | 0.86 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1618 Ų buried · 124 hydrogen bonds · nucleic-nucleic
- A–B · 1363 Ų buried · 8 hydrogen bonds · protein-protein
- D–B · 1237 Ų buried · 30 hydrogen bonds · protein-nucleic
- A–C · 1187 Ų buried · 25 hydrogen bonds · protein-nucleic
- A–D · 1138 Ų buried · 28 hydrogen bonds · protein-nucleic
Compared structures
- 6EN2 · 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 6EN2 · PDBe 6EN2 · UniProt Q7BP35
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