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MolNFT v1 · #16200 · protein

Gramicidin a in dodecyl phosphocholine micelles in the presence of excess na+ (NMR)

1NRU: “Gramicidin a in dodecyl phosphocholine micelles in the presence of excess na+ (NMR)”. Solution nmr, 1 ligand (ETA). MolNFT v1 #16200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1NRU
Type
protein
Length
30 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gramicidin a
Ligands
ETA

Structure

solution nmr · 1 distinct chain · 0% helix, 87% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGramicidin aprotein150% helix, 87% strand—

Ligands and binding sites

  • ETA · Ethanolamine · ligand · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 230 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 d-amino, 2 covalent, 2 modified (D-amino acid, covalent ligand, nonstandard).

Compared structures

  • 1NRU · Gramicidin A in Dodecyl Phosphocholine Micelles in the Presence of Excess Na+ (NMR) · the same entry in another collection · chain A against A, TM-score 1.00

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