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MolNFT v1 · #60747 · protein

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

3D10 · Protein S100-B: “Crystal structure of S100B in the calcium and zinc loaded state at pH 10.0”. X-ray diffraction, 2 ligands (CA, ZN). MolNFT v1 #60747 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

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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