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Structure of human NOTCH1 transcription complex including csl, ram, ank, and maml-1 on hes-1 promoter DNA sequence

Analyse Structure of human NOTCH1 transcription complex including csl, ram, ank, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V79
Type
protein + DNA
Length
752 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurogenic locus notch homolog protein 1; Recombining binding protein suppressor of…
UniProt
P46531, Q06330, Q92585
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 25% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
KNeurogenic locus notch homolog protein 1protein21845% helix, 1% strandP46531
CRecombining binding protein suppressor of hairlessprotein4246% helix, 35% strandQ06330
MMastermind-like protein 1protein5595% helix, 0% strandQ92585
XDNA 5'- D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3'dna18——
YDNA 5'- D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3'dna18——
RRamprotein1916% helix, 11% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110950.800.82105empty
26100.760.8263empty
34390.680.7950empty
41030.680.9128empty
52270.500.7633empty

Interfaces

7 interfaces between chains.

  • K–C · 1257 Ų buried · 16 hydrogen bonds · protein-protein
  • C–M · 1227 Ų buried · 15 hydrogen bonds · protein-protein
  • C–R · 973 Ų buried · 11 hydrogen bonds · protein-protein
  • X–Y · 762 Ų buried · 61 hydrogen bonds · nucleic-nucleic
  • K–M · 650 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3V79 · Structure of human Notch1 transcription complex including CSL, RAM, ANK, and MAML-1 on… · the same entry in another collection · chain R against R, TM-score 1.00
  • P46531 · AlphaFold monomer V2.0 prediction for neurogenic locus notch homolog protein 1 (P46531) · a predicted model of the same protein · chain K against A, TM-score 0.98
  • Q06330 · AlphaFold monomer V2.0 prediction for recombining binding protein suppressor of hairless… · a predicted model of the same protein · chain C against A, TM-score 0.96
  • Q92585 · AlphaFold monomer V2.0 prediction for mastermind-like protein 1 (Q92585) · a predicted model of the same protein · chain M against A, TM-score 0.83

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