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MolNFT v2 · #206311 · protein + DNA

Structure of the AT-Hook 1 peptide from the mammalian HMGA protein in complex with DNA

8CPG · DNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3'): “Structure of the AT-Hook 1 peptide from the mammalian HMGA protein in complex with DNA”. X-ray diffraction at 1.4, 1 ligand (MG), 2 pockets (best druggability 0.52). MolNFT v2…

PDB
8CPG
Type
protein + DNA
Length
90 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.4
Molecule
DNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3'); High mobility group protein…
UniProt
P17096
Ligands
MG
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · resolution 1.4 · 5 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, E, FDNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3')dna12——
B, CDNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3')dna11——
GHigh mobility group protein HMG-I/HMG-Yprotein90% helix, 0% strandP17096
HHigh mobility group protein HMG-I/HMG-Yprotein60% helix, 0% strandP17096
IHigh mobility group protein HMG-I/HMG-Yprotein50% helix, 0% strandP17096

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, C, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12060.520.7826empty
2610.320.7610empty

Interfaces

21 interfaces between chains.

  • A–B · 450 Ų buried · 29 hydrogen bonds · nucleic-nucleic
  • C–D · 444 Ų buried · 29 hydrogen bonds · nucleic-nucleic
  • E–F · 435 Ų buried · 31 hydrogen bonds · nucleic-nucleic
  • F–G · 246 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–H · 242 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • P17096 · AlphaFold monomer V2.0 prediction for high mobility group protein hmg-I/HMG-Y (P17096) · a predicted model of the same protein · chain I against A, TM-score 0.81

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