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NMR ensemble of ion-selective ligand A22 for platelet integrin alphaiib-BETA3

Analyse NMR ensemble of ion-selective ligand A22 for platelet integrin alphaiib-BETA3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1I8E
Type: protein
Length: 11 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ion-selective ligand A22
Ligands: ACE, NH2

Structure

solution nmr · 1 distinct chain · 0% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ion-selective ligand A22	protein	11	0% helix, 18% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains A
NH2 · Amino group · ion · chains A

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

Modifications

Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

1I8E · NMR ensemble of ion-selective ligand A22 for platelet integrin alphaiib-BETA3 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1I8E · PDBe 1I8E

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