File format for lig_pairs.lst fileThis file lists the ligands in each PDB entry. A ligand is defined as a metal, small molecule, or peptide (of 10 residues or less) bound to a protein or DNA/RNA molecule.
Each line shows the PDB code, a colon and then a list of ligands found in that PDB entry, separated by semi-colons.
Ligand names are given as a sequence of 3-character "residue" names, separated by hyphens. Leading spaces in any residue name have been replaced by underscores, "_" (except where the ligand is a metal ion).
Where a ligand residue is a standard amino acid with an "attachment" (ie a modification consisting of an extra atom or atoms), the attachment is shown bracketed with a plus sign (see the "(+CH3)" and "(+SCC)" attachments in the examples below).
1epn : MOR-PHE-CYS(+CH3)-NOR; SO4; 1epo : MOR-PHE-NLE-CHF-NME; F; 1epp : SO4; MAS-PHE-LYS-STA-DCI-MTF; 1epq : PHE-GLY(+SCC)-XAO; SO4; SOT; 1epr : DPH-HIS-CHF-EMR; TSM; F; 1ept : CA; 1epu : SE; 1epv : DCS; 1epw : SO4; ZN; 1epy : SO4; CL; CO; 1epz : TYD; 1eq2 : NAP; ADQ; 1eq4 : NA; 1eq5 : NA; 1eq8 : _OH; 1eq9 : PMS;