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Crystal structure of S100B in the calcium and zinc loaded state at pH 6.5

Analyse Crystal structure of S100B in the calcium and zinc loaded state at pH 6.5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3D0Y
Type: protein
Length: 180 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 · 1 distinct chain · 63% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protein S100-B	protein	90	63% helix, 2% strand	P04271

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B
PG4 · Tetraethylene 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 · 1426 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (formylation).

Compared structures

3D0Y · Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5 · 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 A against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P04271
Elsewhere: RCSB PDB 3D0Y · PDBe 3D0Y · UniProt P04271

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