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MolNFT v1 · #29493 · protein + DNA

Zinc finger-DNA recognition: crystal structure of a ZIF268- DNA complex at 2.1 ångströms

1ZAA · DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'): “Zinc finger-DNA recognition: crystal structure of a ZIF268- DNA complex at 2.1 ångströms”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.61). MolNFT v1 #29493 on…

PDB
1ZAA
Type
protein + DNA
Length
107 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'); DNA…
UniProt
P08046
Ligands
ZN
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3')dna11——
BDNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3')dna11——
CProtein (ZIF268)protein8541% helix, 14% strandP08046

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1970.610.8918empty
2580.580.9117empty

Interfaces

3 interfaces between chains.

  • A–C · 971 Ų buried · 24 hydrogen bonds · protein-nucleic
  • B–C · 535 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–B · 485 Ų buried · 51 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1ZAA · Zinc finger-DNA recognition: crystal structure of a ZIF268-DNA complex at 2.1 ångströms · the same entry in another collection · chain A against A, 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 C against A, TM-score 0.95

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