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MolNFT v1 · #92230 · protein

Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear CD-thiolated cluster

4G1A · Aq-C16C19 peptide: “Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear CD-thiolated cluster”. X-ray diffraction, 1 ligand (CD). MolNFT v1 #92230 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4G1A
Type
protein
Length
77 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aq-C16C19 peptide
Ligands
CD

Structure

x-ray diffraction · 3 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAq-C16C19 peptideprotein2681% helix, 0% strand—
BAq-C16C19 peptideprotein2479% helix, 0% strand—
CAq-C16C19 peptideprotein2781% helix, 0% strand—

Ligands and binding sites

  • CD · Cadmium ion · metal · 4 copies · chains A, B, C

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

Interfaces

3 interfaces between chains.

  • B–C · 549 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 539 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 506 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4G1A · Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear… · the same entry in another collection · chain A against A, TM-score 1.00

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