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Crystal structure of drosophila DHX36 helicase in complex with ssdna CPG_A

Analyse Crystal structure of drosophila DHX36 helicase in complex with ssdna CPG_A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5N9F
Type
protein + DNA
Length
1,732 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CG9323, isoform a; DNA (5'-D(*GP*GP*GP*GP*AP*CP*GP*AP*TP*C)-3')
EC
3.6.1.3
UniProt
Q8SWT2
Ligands
NA, CL
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACG9323, isoform a (EC 3.6.1.3)protein85947% helix, 15% strandQ8SWT2
BCG9323, isoform a (EC 3.6.1.3)protein85546% helix, 15% strandQ8SWT2
C, DDNA (5'-D(*GP*GP*GP*GP*AP*CP*GP*AP*TP*C)-3')dna9——

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • CL · Chloride ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110580.890.9197empty
23830.810.9037empty
32780.790.9140empty
41960.740.9033empty
51460.730.9132empty

Interfaces

3 interfaces between chains.

  • A–C · 1619 Ų buried · 34 hydrogen bonds · protein-nucleic
  • B–D · 1571 Ų buried · 33 hydrogen bonds · protein-nucleic
  • A–B · 445 Ų buried · 3 hydrogen bonds · protein-protein

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