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MolNFT v1 · #17789 · protein + DNA

Crystal structure of tandem ZIF268 molecules complexed to DNA

1P47 · 5'- D(*GP*TP*GP*GP*CP*GP*TP*GP*GP*GP*CP*GP*GP*CP*GP*TP*GP*GP…: “Crystal structure of tandem ZIF268 molecules complexed to DNA”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.65). MolNFT v1 #17789 on GenesisL1: 3D…

PDB
1P47
Type
protein + DNA
Length
215 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- D(*GP*TP*GP*GP*CP*GP*TP*GP*GP*GP*CP*GP*GP*CP*GP*TP*GP*GP*GP *CP*GP*T)-3'; 5'…
UniProt
P08046
Ligands
ZN
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 37% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C5'- D(*GP*TP*GP*GP*CP*GP*TP*GP*GP*GP*CP*GP*GP*CP*GP*TP*GP*GP*GP *CP*GP*T)-3'dna22——
D5'- D(*CP*AP*CP*GP*CP*CP*CP*AP*CP*GP*CP*CP*GP*CP*CP*CP*AP*CP*GP *CP*CP*A)-3'dna22——
AEarly growth response protein 1protein8737% helix, 14% strandP08046
BEarly growth response protein 1protein8438% helix, 12% strandP08046

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.650.8716empty
2720.630.9217empty
3880.620.9016empty
4740.600.9017empty
5810.540.8617empty

Interfaces

6 interfaces between chains.

  • C–A · 1118 Ų buried · 25 hydrogen bonds · protein-nucleic
  • C–B · 1082 Ų buried · 21 hydrogen bonds · protein-nucleic
  • C–D · 1012 Ų buried · 110 hydrogen bonds · nucleic-nucleic
  • D–A · 570 Ų buried · 8 hydrogen bonds · protein-nucleic
  • D–B · 541 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 1P47 · Crystal Structure of tandem Zif268 molecules complexed to DNA · the same entry in another collection · chain C against C, TM-score 1.00
  • P08046 · AlphaFold monomer V2.0 prediction for early growth response protein 1 (P08046) · a predicted model of the same protein · chain B against A, TM-score 0.95

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