PDB Code: AHS

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



PICTURE   AHS
 C4*          HN1      O2-HO2       C2'--C3'
   \          |        |           /       \
    C2*--C1*--N1--C1--C2--C3--C4--C1'       C4'
   /          |           |        \       /
 C3*       O==C--OXT-HXT  N-1,2HN   C6'--C5'
END

RESIDUE   AHS     50
CONECT      C1'    4 C4   C2'  C6'  H1'
CONECT      C2'    4 C1'  C3' 1H2' 2H2'
CONECT      C6'    4 C1'  C5' 1H6' 2H6'
CONECT      C3'    4 C2'  C4' 1H3' 2H3'
CONECT      C5'    4 C6'  C4' 1H5' 2H5'
CONECT      C4'    4 C3'  C5' 1H4' 2H4'
CONECT      C4     4 C3   C1' 1H4  2H4
CONECT      C3     4 N    C4   C2   H3
CONECT      N      3 C3  1HN  2HN
CONECT      C2     4 C3   O2   C1   H2
CONECT      O2     2 C2   HO2
CONECT      C1     4 C2   N1  1H1  2H1
CONECT      N1     3 C1   C    C1*
CONECT      C      3 O    N1   OXT
CONECT      O      1 C
CONECT      OXT    2 C    HXT
CONECT      C1*    4 N1   C2* 1H1* 2H1*
CONECT      C2*    4 C1*  C3*  C4*  H2*
CONECT      C3*    4 C2* 1H3* 2H3* 3H3*
CONECT      C4*    4 C2* 1H4* 2H4* 3H4*
CONECT      H1'    1 C1'
CONECT     1H2'    1 C2'
CONECT     2H2'    1 C2'
CONECT     1H6'    1 C6'
CONECT     2H6'    1 C6'
CONECT     1H3'    1 C3'
CONECT     2H3'    1 C3'
CONECT     1H5'    1 C5'
CONECT     2H5'    1 C5'
CONECT     1H4'    1 C4'
CONECT     2H4'    1 C4'
CONECT     1H4     1 C4
CONECT     2H4     1 C4
CONECT     1HN     1 N
CONECT     2HN     1 N
CONECT      H3     1 C3
CONECT      H2     1 C2
CONECT      HO2    1 O2
CONECT     1H1     1 C1
CONECT     2H1     1 C1
CONECT      HXT    1 OXT
CONECT     1H1*    1 C1*
CONECT     2H1*    1 C1*
CONECT      H2*    1 C2*
CONECT     1H3*    1 C3*
CONECT     2H3*    1 C3*
CONECT     3H3*    1 C3*
CONECT     1H4*    1 C4*
CONECT     2H4*    1 C4*
CONECT     3H4*    1 C4*
END
HET    AHS             50
HETNAM     AHS N-ISOLEUCYL-N-CARBOXY-(2-HYDROXY-3-AMINO-4-CYCLOHEXYL-
HETNAM   2 AHS BUTYL) AMINE
FORMUL      AHS    C15 H30 N2 O3