Research workbench
DNase I-induced DNA conformation. 2 ångströms structure of a DNase I- octamer complex
Analyse DNase I-induced DNA conformation. 2 ångströms structure of a DNase I- octamer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DNJ
- Type
- protein + DNA
- Length
- 267 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3'; 5'-D(*GP*CP*GP*AP*TP*C)-3'; Deoxyribonuclease I
- EC
- 3.1.21.1
- UniProt
- P00639
- Ligands
- NAG
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3' | dna | 8 | — | — |
| C | 5'-D(*GP*CP*GP*AP*TP*C)-3' | dna | 6 | — | — |
| A | Deoxyribonuclease I (EC 3.1.21.1) | protein | 253 | 30% helix, 30% strand | P00639 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.36 | 0.76 | 14 | empty |
| 2 | 84 | 0.35 | 0.76 | 16 | empty |
Interfaces
3 interfaces between chains.
- C–A · 347 Ų buried · 7 hydrogen bonds · protein-nucleic
- B–A · 328 Ų buried · 9 hydrogen bonds · protein-nucleic
- B–C · 278 Ų buried · 21 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 2DNJ · DNase I-induced DNA conformation. 2 ångströms structure of a DNase I-octamer complex · the same entry in another collection · chain B against B, TM-score 1.00
- P00639 · AlphaFold monomer V2.0 prediction for deoxyribonuclease-1 (P00639) · a predicted model of the same protein · 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 P00639
- Elsewhere: RCSB PDB 2DNJ · PDBe 2DNJ · UniProt P00639
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