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Human transcription cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide.

Analyse Human transcription cofactor PC4 DNA-binding domain in complex with full… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YCS
Type
protein + DNA
Length
294 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PC4 protein; DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)…
UniProt
Q6IBA2
Ligands
NA, SO4
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 6 distinct chains · 26% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APC4 proteinprotein6627% helix, 48% strandQ6IBA2
BPC4 proteinprotein6725% helix, 48% strandQ6IBA2
CPC4 proteinprotein6826% helix, 47% strandQ6IBA2
DPC4 proteinprotein6526% helix, 46% strandQ6IBA2
EDNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT) P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS) P*(OKT)P*(OKT))-3')dna16——
FDNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT) P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS) P*(OKT)P*(OKT))-3')dna12——

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, E, F
  • SO4 · Sulfate ion · ion · chains A, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18120.770.8159SO4
22030.500.7620empty
31290.490.8018empty
4680.380.7917NA

Interfaces

12 interfaces between chains.

  • C–D · 1461 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1428 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 781 Ų buried · 14 hydrogen bonds · protein-nucleic
  • D–F · 647 Ų buried · 13 hydrogen bonds · protein-nucleic
  • E–F · 574 Ų buried · 32 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 28 modified (nucleotide modification).

Compared structures

  • 6YCS · Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate… · the same entry in another collection · chain A against A, TM-score 1.00

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