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Crystal structure of computationally designed protein XAA_GVDQ with calcium

Analyse Crystal structure of computationally designed protein XAA_GVDQ with calcium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NY8
Type
protein
Length
272 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Design construct XAA_GVDQ
Ligands
CA, CL

Structure

x-ray diffraction · 2 distinct chains · 94% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADesign construct XAA_GVDQprotein9094% helix, 0% strand—
B, CDesign construct XAA_GVDQprotein9193% helix, 0% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · chains A, B, C
  • CL · Chloride ion · ion · chains A, B, C

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

Interfaces

3 interfaces between chains.

  • A–B · 1385 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 1367 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 1310 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6NY8 · Crystal structure of computationally designed protein XAA_GVDQ with calcium · the same entry in another collection · chain A against A, TM-score 1.00

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