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PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1079512010

Analyse PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7HG1
Type
protein
Length
268 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.81
Source
Homo sapiens
Molecule
Hepatoma-derived growth factor-related protein 2
UniProt
Q7Z4V5
Ligands
UWS, SO4

Structure

x-ray diffraction · resolution 1.81 · 3 distinct chains · 24% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHepatoma-derived growth factor-related protein 2protein9323% helix, 24% strandQ7Z4V5
BHepatoma-derived growth factor-related protein 2protein8924% helix, 25% strandQ7Z4V5
CHepatoma-derived growth factor-related protein 2protein8624% helix, 24% strandQ7Z4V5

Ligands and binding sites

  • UWS · 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 6 copies · chains A, C, B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, C

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

Interfaces

2 interfaces between chains.

  • A–C · 425 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 359 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • Q7Z4V5 · AlphaFold monomer V2.0 prediction for hepatoma-derived growth factor- related protein 2… · a predicted model of the same protein · chain C against A, TM-score 0.96

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