Research workbench
Crystal structure of DR_0571 protein from deinococcus radiodurans in complex with ADP. northeast structural genomics consortium target DRR125
Analyse Crystal structure of DR_0571 protein from deinococcus radiodurans in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3C4N
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein DR_0571
- UniProt
- Q9RWU4
- Ligands
- ADP
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein DR_0571 | protein | 359 | 30% helix, 28% strand | Q9RWU4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 463 | 0.76 | 0.84 | 70 | ADP |
| 2 | 459 | 0.75 | 0.84 | 70 | ADP |
| 3 | 459 | 0.67 | 0.79 | 72 | empty |
| 4 | 62 | 0.33 | 0.76 | 12 | empty |
| 5 | 54 | 0.31 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 699 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3C4N · Crystal structure of DR_0571 protein from Deinococcus radiodurans in complex with ADP.… · the same entry in another collection · 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 Q9RWU4
- Elsewhere: RCSB PDB 3C4N · PDBe 3C4N · UniProt Q9RWU4
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