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Crystal structure of ZMYND8 phd-bromo-pwwp tandem in complex with drebrin adf-H domain

Analyse Crystal structure of ZMYND8 phd-bromo-pwwp tandem in complex with drebrin adf-H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y1Z
Type
protein
Length
874 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Drebrin; Protein kinase C-binding protein 1
UniProt
Q16643, Q9ULU4
Ligands
ZN, SO4
Pockets
14 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADrebrinprotein13035% helix, 28% strandQ16643
BDrebrinprotein13533% helix, 28% strandQ16643
CProtein kinase C-binding protein 1protein30244% helix, 12% strandQ9ULU4
DProtein kinase C-binding protein 1protein30745% helix, 12% strandQ9ULU4

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains C, D
  • SO4 · Sulfate ion · ion · 6 copies · chains A, C, D
  • GOL · Glycerol · additive · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.730.8639empty
25960.720.8073empty
31680.510.7833empty
41730.510.7836empty
5780.490.8319empty

Interfaces

3 interfaces between chains.

  • B–D · 1123 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 987 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 302 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5Y1Z · Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain · the same entry in another collection · chain D against D, TM-score 1.00
  • Q16643 · AlphaFold monomer V2.0 prediction for drebrin (Q16643) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9ULU4 · AlphaFold monomer V2.0 prediction for protein kinase C-binding protein 1 (Q9ULU4) · a predicted model of the same protein · chain C against A, TM-score 0.99

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