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A collapsed hexameric state of a de novo coiled-coil assembly: cc- TYPE2-(GGLAID)4-W19BRPHE.

Analyse A collapsed hexameric state of a de novo coiled-coil assembly: cc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7A1T
Type
protein
Length
179 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cc-TYPE2-(GGLAID)4-W19BRPHE
Ligands
ACE, CD, NH2

Structure

x-ray diffraction · 2 distinct chains · 93% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, E, FCc-TYPE2-(GGLAID)4-W19BRPHEprotein3093% helix, 0% strand—
DCc-TYPE2-(GGLAID)4-W19BRPHEprotein2993% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 4 copies · chains B, C, E, F
  • CD · Cadmium ion · metal · chains B
  • NH2 · Amino group · ion · chains B, C
  • ACT · Acetate ion · additive · 4 copies · chains A, B, E
  • GOL · Glycerol · additive · chains D, E

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

Interfaces

9 interfaces between chains.

  • B–C · 789 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 788 Ų buried · 7 hydrogen bonds · protein-protein
  • E–F · 769 Ų buried · 5 hydrogen bonds · protein-protein
  • D–E · 723 Ų buried · 4 hydrogen bonds · protein-protein
  • A–F · 478 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 modified, 4 covalent (nonstandard, covalent ligand).

Compared structures

  • 7A1T · A collapsed hexameric state of a de novo coiled-coil assembly… · the same entry in another collection · chain A against A, TM-score 1.00

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