MolNFT v1 · #27575 · protein + DNA
Peptide trapped holliday junction intermediate in cre-loxp recombination
1XNS · Loxp DNA: “Peptide trapped holliday junction intermediate in cre-loxp recombination”. X-ray diffraction, 9 pockets (best druggability 0.84). MolNFT v1 #27575 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XNS
- Type
- protein + DNA
- Length
- 713 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Loxp DNA; Recombinase cre
- UniProt
- P06956
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Loxp DNA | dna | 35 | — | — |
| D | Loxp DNA | dna | 34 | — | — |
| A, B | Recombinase cre | protein | 322 | 57% helix, 3% strand | P06956 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.84 | 0.86 | 99 | empty |
| 2 | 213 | 0.71 | 0.88 | 25 | empty |
| 3 | 322 | 0.58 | 0.77 | 34 | empty |
| 4 | 106 | 0.56 | 0.84 | 18 | empty |
| 5 | 152 | 0.45 | 0.76 | 31 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1799 Ų buried · 28 hydrogen bonds · protein-protein
- D–B · 1424 Ų buried · 28 hydrogen bonds · protein-nucleic
- D–A · 1402 Ų buried · 27 hydrogen bonds · protein-nucleic
- C–A · 1113 Ų buried · 21 hydrogen bonds · protein-nucleic
- C–D · 732 Ų buried · 82 hydrogen bonds · nucleic-nucleic
Compared structures
- 1XNS · Peptide trapped Holliday junction intermediate in Cre-loxP recombination · the same entry in another collection · chain C against C, 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 P06956
- Elsewhere: RCSB PDB 1XNS · PDBe 1XNS · UniProt P06956
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