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Crystal structure of tripeptide bound cell shape determinant CSD4 protein from helicobacter pylori

Analyse Crystal structure of tripeptide bound cell shape determinant CSD4 protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WCN
Type
protein
Length
414 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Conserved hypothetical secreted protein
UniProt
B5ZAD9
Ligands
3KS, NA, ZN, IOD
Pockets
4 · best druggability 0.57

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AConserved hypothetical secreted proteinprotein41425% helix, 33% strandB5ZAD9

Ligands and binding sites

  • 3KS · N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • IOD · Iodide ion · ion · 41 copies · 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
11060.570.85223KS
2890.380.7616IOD
3730.320.7518IOD
4570.320.7614empty

Compared structures

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

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