Extract The Aminoacid Sequence From A PDB Object

Usage

pdbseq(pdb, inds = NULL, aa1 = TRUE)

Arguments

pdb
a PDB structure object obtained from read.pdb.
inds
a list object of ATOM and XYZ indices as obtained from atom.select.
aa1
logical, if TRUE then the one-letter IUPAC sequence is returned. IF FALSE then the three-letter PDB style sequence is returned.

Description

Return a vector of the one-letter IUPAC or three-letter PDB style aminoacid codes from a given PDB object.

Details

See the examples below and the functions atom.select and aa321 for further details.

Value

A character vector of aminoacid codes.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.

For a description of IUPAC one-letter codes see: http://www.chem.qmul.ac.uk/iupac/AminoAcid/

For more information on PDB residue codes see: http://ligand-expo.rcsb.org/ld-search.html

Examples

pdb <- read.pdb( "5p21" )
Note: Accessing on-line PDB file
pdbseq(pdb)
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 "M" "T" "E" "Y" "K" "L" "V" "V" "V" "G" "A" "G" "G" "V" "G" "K" "S" "A" "L" "T" 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 "I" "Q" "L" "I" "Q" "N" "H" "F" "V" "D" "E" "Y" "D" "P" "T" "I" "E" "D" "S" "Y" 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 "R" "K" "Q" "V" "V" "I" "D" "G" "E" "T" "C" "L" "L" "D" "I" "L" "D" "T" "A" "G" 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 "Q" "E" "E" "Y" "S" "A" "M" "R" "D" "Q" "Y" "M" "R" "T" "G" "E" "G" "F" "L" "C" 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 "V" "F" "A" "I" "N" "N" "T" "K" "S" "F" "E" "D" "I" "H" "Q" "Y" "R" "E" "Q" "I" 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 "K" "R" "V" "K" "D" "S" "D" "D" "V" "P" "M" "V" "L" "V" "G" "N" "K" "C" "D" "L" 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 "A" "A" "R" "T" "V" "E" "S" "R" "Q" "A" "Q" "D" "L" "A" "R" "S" "Y" "G" "I" "P" 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 "Y" "I" "E" "T" "S" "A" "K" "T" "R" "Q" "G" "V" "E" "D" "A" "F" "Y" "T" "L" "V" 161 162 163 164 165 166 "R" "E" "I" "R" "Q" "H"
#pdbseq(pdb, inds=atom.select(pdb, resno=5:15, elety="CA"), aa1=FALSE)

See also

read.pdb, atom.select, aa321, read.fasta

Author

Barry Grant