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MolNFT v1 · #8981 · protein

Decaplanin second P6122-form

1HHF: “Decaplanin second P6122-form”. X-ray diffraction, 5 ligands (ERE, BGC, RAM). MolNFT v1 #8981 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1HHF
Type
protein
Length
28 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Decaplanin
Ligands
ERE, BGC, RAM, CL, PO4

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DDecaplaninprotein70% helix, 14% strand—

Ligands and binding sites

  • ERE · 4-epi-vancosamine · ligand · 4 copies · chains A, C, D, B
  • BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
  • RAM · alpha-L-rhamnopyranose · sugar · 4 copies · chains A, C, B, D
  • CL · Chloride ion · ion · 4 copies · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 2 copies · chains A

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

Interfaces

3 interfaces between chains.

  • A–B · 367 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 364 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 192 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified, 4 covalent, 4 glycan (nonstandard, covalent ligand, glycosylation).

Compared structures

  • 1HHF · Decaplanin second P6122-Form · the same entry in another collection · chain A against A, TM-score 1.00

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