MolNFT v1 · #49867 · protein + DNA
Crystal structure of the P22 C2 repressor protein in complex with the synthetic operator 9T
2R1J · 5'-D(*DCP*DAP*DTP*DTP*DTP*DAP*DAP*DGP*DAP*DTP*DAP*DTP*DCP*D…: “Crystal structure of the P22 C2 repressor protein in complex with the synthetic operator 9T”. X-ray diffraction, 1 pocket (best druggability 0.30). MolNFT v1 #49867 on…
- PDB
- 2R1J
- Type
- protein + DNA
- Length
- 172 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*DCP*DAP*DTP*DTP*DTP*DAP*DAP*DGP*DAP*DTP*DAP*DTP*DCP*D…
- UniProt
- P69202
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 3 distinct chains · 67% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*DCP*DAP*DTP*DTP*DTP*DAP*DAP*DGP*DAP*DTP*DAP*DTP*DCP*D TP*DTP*DAP*DAP*DAP*DTP*DA)-3' | dna | 20 | — | — |
| A | 5'-D(*DTP*DAP*DTP*DTP*DTP*DAP*DAP*DGP*DAP*DTP*DAP*DTP*DCP*D TP*DTP*DAP*DAP*DAP*DTP*DG)-3' | dna | 20 | — | — |
| L, R | Repressor protein C2 | protein | 66 | 67% helix, 2% strand | P69202 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.30 | 0.76 | 11 | empty |
Interfaces
6 interfaces between chains.
- B–A · 913 Ų buried · 70 hydrogen bonds · nucleic-nucleic
- L–R · 398 Ų buried · 5 hydrogen bonds · protein-protein
- B–R · 380 Ų buried · 7 hydrogen bonds · protein-nucleic
- A–L · 369 Ų buried · 7 hydrogen bonds · protein-nucleic
- B–L · 349 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 2R1J · Crystal Structure of the P22 c2 Repressor protein in complex with the synthetic operator… · the same entry in another collection · chain B against B, 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 P69202
- Elsewhere: RCSB PDB 2R1J · PDBe 2R1J · UniProt P69202
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