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Crystal structure of S100B in the calcium and zinc loaded state at pH 10.0

Analyse Crystal structure of S100B in the calcium and zinc loaded state at pH 10.0 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3D10
Type
protein
Length
183 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein S100-B
UniProt
P04271
Ligands
CA, ZN

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein S100-Bprotein9262% helix, 2% strandP04271
BProtein S100-Bprotein9163% helix, 2% strandP04271

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains B

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

Interfaces

1 interface between chains.

  • A–B · 1409 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 3D10 · Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0 · the same entry in another collection · chain A against A, TM-score 1.00
  • P04271 · AlphaFold monomer V2.0 prediction for protein S100-B (P04271) · a predicted model of the same protein · chain B against A, TM-score 0.98

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