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APPENDIX 16 - RESIDUE CODE SYMBOLS

This Appendix lists the residue code symbols used in *PDBSEQ fields and the *PDBSEQ test.

A* Modified adenine C* Modified cytidine G* Modified guanine U* Modified uridine A Adenosine C Cytidine G Guanosine I Inosine T Thymidine U Uridine YG Wybutosine ABA alpha-Amino-n-butyric acid ABU gamma-Aminobutyric acid ACD Acidic unknown ACE Acetyl AGL 3,6-Anhydro-L-galactose AGN undefined (ID-3GBP) AGS 3,6-Anhydro-D-galactose-2-sulfate AHS N-Isobutyl-N-carboxy-2-hydroxy-3-amino-4-cyclohexylbutylamine AIB alpha-Aminoisobutyric acid ALA Alanine ALB beta-Alanine ALI Aliphatic unknown ALM Alanine, methylene C bound to carboxy C ALU undefined (ID-3GBP) ANI p-Trifluoromethylphenylanilide ARG Arginine ARO Aromatic unknown ASG 2-Deoxy-2-acetamido-beta-D-galactose-4-sulfate ASN Asparagine ASP Aspartic acid ASX ASP/ASN ambiguous BAS Basic unknown BNA bis(Naphthyl-1-methyl)acetic acid BNO Norleucine boronic acid BOC t-Butyloxycarbonyl anion BZO Benzoyloxy B1F Phenylalanine boronic acid (ID-1P06) B2A Alanine boronic acid B2F Phenylalanine boronic acid (ID-1P08) B2I Isoleucylboronic acid B2V Valine boronic acid CAL Cyclohexyl ALA-psi(CHOH-CH2)-LEU CBZ Carbobenzoxy CEG 4,6-O-(1-Carboxyethylidene-beta-D-glucose) CHS 5-Cyclohexyl-4-amino-3-hydroxypentanoic acid CH2 Methylene CLT 1-Carboxy-3-phenylpropyl COR (2S,4S)-2,4-Diamino-1,5-diphenyl-3-hydroxypentane CYS Cysteine or cystine DCI Decarboxy-isoleucine ETA Ethanolamine EXC Excised FOR Formyl FPA 1,1-Difluoro-N-phenylethylacetamide FRD C9 H9 N1 (ID-3APR) GAL alpha-D-Galactose GCU beta-D-Glucuronate; D-Glucuronic acid GLC beta-D-Glucose GLM Glycine, methylene C bound to carboxy C GLN Glutamine GLP Pyrrolidone carboxylic acid (pyroglutamate) (was PCA in original PDB entries) GLS D-Galactose-6-sulfate GLU Glutamic acid GLX GLN/GLU ambiguous GLY Glycine G4S D-Galactose-4-sulfate HIS Histidine HOH Water HYP Hydroxyproline H2U Dihydrouridine IBU Isobutyryl ILE Isoleucine INI not defined (ID-7ADH) IVL Isovaleric acid (was IVA in original PDB entries, but IUPAC and CAS use IVA=Isovaline) LEU Leucine LOL Leucinol LOV LEU-psi(CHOH-CH2)-LEU LYM Lysine, methylene C bound to carboxy C LYS Lysine MAN alpha-D-Mannose MET Methionine MPR beta-Mercaptopropionate MSE Selenomethionine MSU Methoxysuccinyl MYR Myristate M2G N(2)-Dimethylguanosine NAG 2-Acetamido-2-deoxy-D-glucose; N-Acetyl-D-glucosamine NAM 2-Acetamido-2-deoxy-D-muramic acid NGS N-Acetyl-D-glucosamine-6-sulfate NH2 Terminal amide NLE Norleucine OLE Modified LEU with N replaced by O OMC 2'-O-Methylcytidine OME Methoxy OMG 2'-O-Methylguanosine OMU 2'-O-Methyluridine PGL Modified GLY with C=O replaced by PO2 PHA Phenylalaninal PHE Phenylalanine PHL L-Phenylalaninol PHO Phosphate PPH Modified PHE with C=O replaced by PO2 PRO Proline PSU Pseudouridine PVL Pyruvoyl RHA alpha-L-Rhamnopyranosyloxyhydroxyphosphinyl SAR Sarcosine SEA Thioethylamine SEC Seleninic acid SER Serine STA Statine TFA Trifluoroacetate THR Threonine TOS p-Toluenesulfonate TPH PHE with tetrahedral carbonyl C TRP Tryptophan TYR Tyrosine UNK Unknown VAL Valine 1MA 1-Methyladenosine 1MG 1-Methylguanosine 2MA 2-Methyladenosine 2MG N(2)-Methylguanosine 4AC N(4)-Acetylcytidine 4SU 4-Thiouridine 5MC 5-Methylcytidine 5MU 5-Methyluridine 6IA N(6)-Isopentenyladenosine 7MG 7-Methylguanosine


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