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MolNFT v1 · #115677 · protein + DNA

Crystal structure of the drosophila zeste DNA binding domain in complex with DNA

5CQQ · Regulatory protein zeste: “Crystal structure of the drosophila zeste DNA binding domain in complex with DNA”. X-ray diffraction, 5 pockets (best druggability 0.60). MolNFT v1 #115677 on GenesisL1: 3D structure, binding sites and…

PDB
5CQQ
Type
protein + DNA
Length
225 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Regulatory protein zeste; DNA (5'- D(*CP*TP*GP*TP*TP*TP*TP*CP*CP*AP*CP*TP*CP*GP*TP*TP*TP*T…
UniProt
P09956
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 64% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARegulatory protein zesteprotein7465% helix, 0% strandP09956
BRegulatory protein zesteprotein7563% helix, 0% strandP09956
C, EDNA (5'- D(*CP*TP*GP*TP*TP*TP*TP*CP*CP*AP*CP*TP*CP*GP*TP*TP*TP*TP*T)-3')dna19——
D, FDNA (5'- D(*AP*AP*AP*AP*AP*CP*GP*AP*GP*TP*GP*GP*AP*AP*AP*AP*CP*AP*G)-3')dna19——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.600.7935empty
22010.540.7923empty
3970.380.7616empty
4740.340.7612empty
5730.300.7410empty

Interfaces

9 interfaces between chains.

  • C–D · 839 Ų buried · 88 hydrogen bonds · nucleic-nucleic
  • E–F · 835 Ų buried · 83 hydrogen bonds · nucleic-nucleic
  • A–D · 572 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–F · 529 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–C · 415 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 5CQQ · Crystal structure of the Drosophila Zeste DNA binding domain in complex with DNA · the same entry in another collection · chain F against F, TM-score 1.00
  • P09956 · AlphaFold monomer V2.0 prediction for regulatory protein zeste (P09956) · a predicted model of the same protein · chain B against A, TM-score 0.98

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