MolNFT v1 · #14466 · protein + DNA
Crystal structure of cre site-specific recombinase complexed with a mutant DNA substrate, loxp-A8/T27
1MA7: “Crystal structure of cre site-specific recombinase complexed with a mutant DNA substrate, loxp-A8/T27”. X-ray diffraction, 7 pockets (best druggability 0.85). MolNFT v1 #14466 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1MA7
- Type
- protein + DNA
- Length
- 706 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Loxp; Cre recombinase
- UniProt
- P06956
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Loxp | dna | 32 | — | — |
| D | Loxp | dna | 34 | — | — |
| A | Cre recombinase | protein | 323 | 54% helix, 4% strand | P06956 |
| B | Cre recombinase | protein | 317 | 57% helix, 5% strand | P06956 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.85 | 0.87 | 114 | empty |
| 2 | 418 | 0.63 | 0.78 | 35 | empty |
| 3 | 300 | 0.61 | 0.79 | 25 | empty |
| 4 | 254 | 0.52 | 0.76 | 31 | empty |
| 5 | 79 | 0.44 | 0.81 | 22 | empty |
Interfaces
6 interfaces between chains.
- C–B · 1559 Ų buried · 38 hydrogen bonds · protein-nucleic
- A–B · 1529 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1423 Ų buried · 135 hydrogen bonds · nucleic-nucleic
- D–B · 1420 Ų buried · 35 hydrogen bonds · protein-nucleic
- D–A · 1331 Ų buried · 25 hydrogen bonds · protein-nucleic
Compared structures
- 1MA7 · Crystal structure of Cre site-specific recombinase complexed with a mutant DNA substrate… · 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 1MA7 · PDBe 1MA7 · UniProt P06956
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