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MolNFT v1 · #5118 · protein

The three-dimensional structure of human S100A12

1E8A: “The three-dimensional structure of human S100A12”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #5118 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1E8A
Type
protein
Length
175 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
S100A12
UniProt
P80511
Ligands
CA

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AS100A12protein8764% helix, 5% strandP80511
BS100A12protein8863% helix, 5% strandP80511

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 1400 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 1E8A · The three-dimensional structure of human S100A12 · the same entry in another collection · chain A against A, TM-score 1.00
  • P80511 · AlphaFold monomer V2.0 prediction for protein S100-A12 (P80511) · a predicted model of the same protein · chain B against A, TM-score 0.97

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