HEADER GLYCOSIDASE INHIBITOR 27-JAN-89 1HOE 1HOE 3 COMPND ALPHA-*AMYLASE INHIBITOR HOE-467*A 1HOE 4 SOURCE (STREPTOMYCES $TENDAE 4158) 1HOE 5 AUTHOR J.W.PFLUGRATH,G.WIEGAND,R.HUBER 1HOE 6 REVDAT 1 19-APR-89 1HOE 0 1HOE 7 JRNL AUTH J.W.PFLUGRATH,G.WIEGAND,R.HUBER,L.VERTESY 1HOE 8 JRNL TITL CRYSTAL STRUCTURE DETERMINATION, REFINEMENT AND THE 1HOE 9 JRNL TITL 2 MOLECULAR MODEL OF THE ALPHA-*AMYLASE INHIBITOR 1HOE 10 JRNL TITL 3 HOE-467*A 1HOE 11 JRNL REF J.MOL.BIOL. V. 189 383 1986 1HOE 12 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 1HOE 13 REMARK 1 1HOE 14 REMARK 2 1HOE 15 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1HOE 16 REMARK 3 1HOE 17 REMARK 3 REFINEMENT. BY USE OF THE ENERGY-RESTRAINED SYSTEM OF 1HOE 18 REMARK 3 PROGRAMS *EREF* OF A. JACK AND M. LEVITT. THE R VALUE IS 1HOE 19 REMARK 3 0.199 FOR 3778 REFLECTIONS IN THE RESOLUTION RANGE 8.0 TO 1HOE 20 REMARK 3 2.0 ANGSTROMS. THE RMS DEVIATION FROM IDEALITY OF THE 1HOE 21 REMARK 3 BOND LENGTHS IS 0.012 ANGSTROMS. THE RMS DEVIATION FROM 1HOE 22 REMARK 3 IDEALITY OF THE BOND ANGLES IS 1.909 DEGREES. 1HOE 23 SEQRES 1 74 ASP THR THR VAL SER GLU PRO ALA PRO SER CYS VAL THR 1HOE 24 SEQRES 2 74 LEU TYR GLN SER TRP ARG TYR SER GLN ALA ASP ASN GLY 1HOE 25 SEQRES 3 74 CYS ALA GLU THR VAL THR VAL LYS VAL VAL TYR GLU ASP 1HOE 26 SEQRES 4 74 ASP THR GLU GLY LEU CYS TYR ALA VAL ALA PRO GLY GLN 1HOE 27 SEQRES 5 74 ILE THR THR VAL GLY ASP GLY TYR ILE GLY SER HIS GLY 1HOE 28 SEQRES 6 74 HIS ALA ARG TYR LEU ALA ARG CYS LEU 1HOE 29 FORMUL 2 HOH *23(H2 O1) 1HOE 30 SHEET 1 S1 7 CYS 11 SER 17 0 1HOE 31 SHEET 2 S1 7 ARG 19 GLY 26 -1 1HOE 32 SHEET 3 S1 7 GLY 51 GLY 57 -1 1HOE 33 SHEET 4 S1 7 ASP 40 ALA 49 -1 1HOE 34 SHEET 5 S1 7 THR 30 TYR 37 -1 1HOE 35 SHEET 6 S1 7 HIS 64 CYS 73 -1 1HOE 36 SHEET 7 S1 7 CYS 11 SER 17 -1 1HOE 37 TURN 1 T1 SER 17 TYR 20 1HOE 38 TURN 2 T2 TYR 37 ASP 40 1HOE 39 TURN 3 T3 ALA 49 GLN 52 1HOE 40 SSBOND 1 CYS 11 CYS 27 1HOE 41 SSBOND 2 CYS 45 CYS 73 1HOE 42 CRYST1 61.600 40.600 26.800 90.00 90.00 90.00 P 21 21 21 4 1HOE 43 ORIGX1 1.000000 0.000000 0.000000 0.00000 1HOE 44 ORIGX2 0.000000 1.000000 0.000000 0.00000 1HOE 45 ORIGX3 0.000000 0.000000 1.000000 0.00000 1HOE 46 SCALE1 0.016234 0.000000 0.000000 0.00000 1HOE 47 SCALE2 0.000000 0.024631 0.000000 0.00000 1HOE 48 SCALE3 0.000000 0.000000 0.037313 0.00000 1HOE 49