MolNFT v1 · #18649 · protein + DNA
Basis for a switch in substrate specificity: crystal structure of selected variant of cre site-specific recombinase, lnsgg bound to the loxp (wildtype) recognition site
1PVR · 34-mer: “Basis for a switch in substrate specificity: crystal structure of selected variant of cre site-specific…”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #18649 on GenesisL1: 3D structure, binding sites…
- PDB
- 1PVR
- Type
- protein + DNA
- Length
- 710 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 34-mer; Recombinase cre
- UniProt
- P06956
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 34-mer | dna | 32 | — | — |
| D | 34-mer | dna | 34 | — | — |
| A | Recombinase cre | protein | 324 | 54% helix, 6% strand | P06956 |
| B | Recombinase cre | protein | 320 | 58% helix, 8% strand | P06956 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 839 | 0.80 | 0.83 | 98 | empty |
| 2 | 640 | 0.70 | 0.79 | 57 | empty |
| 3 | 109 | 0.56 | 0.85 | 23 | empty |
| 4 | 65 | 0.46 | 0.83 | 17 | empty |
| 5 | 118 | 0.36 | 0.74 | 19 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1629 Ų buried · 27 hydrogen bonds · protein-protein
- C–B · 1491 Ų buried · 39 hydrogen bonds · protein-nucleic
- D–B · 1348 Ų buried · 26 hydrogen bonds · protein-nucleic
- D–A · 1280 Ų buried · 25 hydrogen bonds · protein-nucleic
- C–D · 713 Ų buried · 72 hydrogen bonds · nucleic-nucleic
Compared structures
- 1PVR · Basis for a switch in substrate specificity: crystal structure of selected variant of cre… · 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 1PVR · PDBe 1PVR · UniProt P06956
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