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MolNFT v1 · #16853 · protein

CEPHAIBOL B

1OB6: “CEPHAIBOL B”. X-ray diffraction, 1 ligand (ACE). MolNFT v1 #16853 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OB6
Type
protein
Length
32 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cephaibol B
Ligands
ACE

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCephaibol Bprotein1650% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, B
  • EOH · Ethanol · additive · 2 copies · chains A
  • ACT · Acetate ion · additive · chains B

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

Interfaces

1 interface between chains.

  • A–B · 79 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified, 2 covalent (nonstandard, hydroxylation, covalent ligand).

Compared structures

  • 1OB6 · Cephaibol B · the same entry in another collection · chain A against A, TM-score 1.00

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