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MolNFT v1 · #108626 · protein

Crystal structure of cell shape determinant protein CSD4 GLN46HIS variant from helicobacter pylori

4WCM · Conserved hypothetical secreted protein: “Crystal structure of cell shape determinant protein CSD4 GLN46HIS variant from helicobacter pylori”. X-ray diffraction, 4 ligands (API, ZN, IOD), 4 pockets (best druggability 0.54). MolNFT…

PDB
4WCM
Type
protein
Length
415 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Conserved hypothetical secreted protein
UniProt
B5ZAD9
Ligands
API, ZN, IOD, PO4
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConserved hypothetical secreted proteinprotein41525% helix, 33% strandB5ZAD9

Ligands and binding sites

  • API · 2,6-diaminopimelic acid · ligand · chains A
  • ZN · Zinc ion · metal · 4 copies · chains A
  • IOD · Iodide ion · ion · 37 copies · chains A
  • PO4 · Phosphate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.540.8522PO4, API
21670.470.7627IOD
3960.360.7421IOD
4620.310.7517empty

Compared structures

  • 4WCM · Crystal Structure of Cell Shape Determinant protein Csd4 Gln46His variant from… · the same entry in another collection · chain A against A, TM-score 1.00

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