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Crystal structure of CSM6 in complex with CDA4 by soaking CDA4 into CSM6

Analyse Crystal structure of CSM6 in complex with CDA4 by soaking CDA4 into CSM6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6O71
Type
protein + DNA
Length
873 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CSM6; Cyclic DNA CDA4
UniProt
B6YWC3
Pockets
10 · best druggability 0.87

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACSM6protein43347% helix, 20% strandB6YWC3
BCSM6protein43247% helix, 20% strandB6YWC3
C, DCyclic DNA CDA4dna4——

Pockets

10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19920.870.8882empty
22660.820.9440empty
3980.390.7720empty
4730.390.7811empty
5550.360.7911empty

Interfaces

5 interfaces between chains.

  • A–B · 2361 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 469 Ų buried · 4 hydrogen bonds · protein-nucleic
  • A–D · 424 Ų buried · 4 hydrogen bonds · protein-nucleic
  • A–C · 381 Ų buried · 4 hydrogen bonds · protein-nucleic
  • B–C · 368 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 6O71 · Crystal structure of Csm6 in complex with cdA4 by soaking cdA4 into Csm6 · the same entry in another collection · chain A against A, TM-score 1.00

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