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MolNFT v1 · #12104 · protein + DNA

Crystal structure of a ternary sap-1/SRF/C-fos sre DNA complex

1K6O · 5'-D(*CP*AP*CP*AP*GP*GP*AP*TP*GP*TP*CP*CP*AP*TP*AP*TP*TP*AP…: “Crystal structure of a ternary sap-1/SRF/C-fos sre DNA complex”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #12104 on GenesisL1: 3D structure…

PDB
1K6O
Type
protein + DNA
Length
304 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*AP*CP*AP*GP*GP*AP*TP*GP*TP*CP*CP*AP*TP*AP*TP*TP*AP *GP*GP*AP*CP*A)-3'…
UniProt
P28324, P11831
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 5 distinct chains · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D5'-D(*CP*AP*CP*AP*GP*GP*AP*TP*GP*TP*CP*CP*AP*TP*AP*TP*TP*AP *GP*GP*AP*CP*A)-3'dna23——
E5'-D(*TP*GP*TP*CP*CP*TP*AP*AP*TP*AP*TP*GP*GP*AP*CP*AP*TP*CP *CP*TP*GP*TP*G)-3'dna23——
AEts-domain protein elk-4protein8936% helix, 13% strandP28324
BSerum response factorprotein8547% helix, 14% strandP11831
CSerum response factorprotein8451% helix, 13% strandP11831

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14720.720.8246empty
21790.520.7920empty
31200.420.7615empty
4740.360.7718empty
5520.350.8011empty

Interfaces

9 interfaces between chains.

  • B–C · 1864 Ų buried · 12 hydrogen bonds · protein-protein
  • D–E · 1030 Ų buried · 90 hydrogen bonds · nucleic-nucleic
  • D–B · 616 Ų buried · 11 hydrogen bonds · protein-nucleic
  • E–B · 604 Ų buried · 12 hydrogen bonds · protein-nucleic
  • D–C · 557 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 1K6O · Crystal Structure of a Ternary SAP-1/SRF/c-fos SRE DNA Complex · the same entry in another collection · chain C against C, TM-score 1.00
  • P28324 · AlphaFold monomer V2.0 prediction for ets domain-containing protein elk-4 (P28324) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P11831 · AlphaFold monomer V2.0 prediction for serum response factor (P11831) · a predicted model of the same protein · chain B against A, TM-score 0.98

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