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MolNFT v1 · #127847 · protein + DNA

Crystal structure of drosophila DHX36 helicase in complex with ctctcct

5N8U · CG9323, isoform a: “Crystal structure of drosophila DHX36 helicase in complex with ctctcct”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.87). MolNFT v1 #127847 on GenesisL1: 3D structure, binding sites and…

PDB
5N8U
Type
protein + DNA
Length
1,714 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CG9323, isoform a; DNA (5'-D(P*CP*TP*CP*TP*CP*CP*CP*T)-3')
EC
3.6.1.3
UniProt
Q8SWT2
Ligands
PO4
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCG9323, isoform a (EC 3.6.1.3)protein84947% helix, 16% strandQ8SWT2
C, DDNA (5'-D(P*CP*TP*CP*TP*CP*CP*CP*T)-3')dna8——

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, 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, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17250.870.9179empty
25140.840.9053empty
34260.810.9055PO4
42680.790.9136empty
52810.770.9032empty

Interfaces

3 interfaces between chains.

  • B–D · 1265 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–C · 1232 Ų buried · 14 hydrogen bonds · protein-nucleic
  • A–B · 494 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5N8U · Crystal Structure of Drosophila DHX36 helicase in complex with CTCTCCT · the same entry in another collection · chain A against A, TM-score 1.00

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