HEADER OXIDOREDUCTASE(ACTING ON NADH OR NADPH) 30-MAR-92 1DHR 1DHR 2 COMPND DIHYDROPTERIDINE REDUCTASE (DHPR) (E.C.1.6.99.10) COMPLEX 1DHR 3 COMPND 2 WITH NADH 1DHR 4 SOURCE RAT (RATTUS $NORVEGICUS) LIVER 1DHR 5 AUTHOR K.I.VARUGHESE,M.M.SKINNER,J.M.WHITELEY,D.A.MATTHEWS, 1DHR 6 AUTHOR 2 N.H.XUONG 1DHR 7 REVDAT 1 15-JUL-93 1DHR 0 1DHR 8 JRNL AUTH K.I.VARUGHESE,M.M.SKINNER,J.M.WHITELEY, 1DHR 9 JRNL AUTH 2 D.A.MATTHEWS,N.H.XUONG 1DHR 10 JRNL TITL CRYSTAL STRUCTURE OF RAT LIVER DIHYDROPTERIDINE 1DHR 11 JRNL TITL 2 REDUCTASE 1DHR 12 JRNL REF PROC.NAT.ACAD.SCI.USA V. 89 6080 1992 1DHR 13 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 040 1DHR 14 REMARK 1 1DHR 15 REMARK 2 1DHR 16 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. 1DHR 17 REMARK 3 1DHR 18 REMARK 3 REFINEMENT. 1DHR 19 REMARK 3 PROGRAM XPLOR; PROLSQ 1DHR 20 REMARK 3 AUTHORS BRUNGER; HENDRICKSON,KONNERT 1DHR 21 REMARK 3 RMSD BOND DISTANCES 0.010 ANGSTROMS 1DHR 22 REMARK 3 RMSD BOND ANGLES 2.3 DEGREES 1DHR 23 REMARK 4 1DHR 24 REMARK 4 RESIDUES 178, 179, 184 - 197 OF STRAND 6 OF SHEET S1 1DHR 25 REMARK 4 DEVIATE FROM IDEAL BETA-STRUCTURE CONFORMATION. 1DHR 26 SEQRES 1 241 MET ALA ALA SER GLY GLU ALA ARG ARG VAL LEU VAL TYR 1DHR 27 SEQRES 2 241 GLY GLY ARG GLY ALA LEU GLY SER ARG CYS VAL GLN ALA 1DHR 28 SEQRES 3 241 PHE ARG ALA ARG ASN TRP TRP VAL ALA SER ILE ASP VAL 1DHR 29 SEQRES 4 241 VAL GLU ASN GLU GLU ALA SER ALA SER VAL ILE VAL LYS 1DHR 30 SEQRES 5 241 MET THR ASP SER PHE THR GLU GLN ALA ASP GLN VAL THR 1DHR 31 SEQRES 6 241 ALA GLU VAL GLY LYS LEU LEU GLY ASP GLN LYS VAL ASP 1DHR 32 SEQRES 7 241 ALA ILE LEU CYS VAL ALA GLY GLY TRP ALA GLY GLY ASN 1DHR 33 SEQRES 8 241 ALA LYS SER LYS SER LEU PHE LYS ASN CYS ASP LEU MET 1DHR 34 SEQRES 9 241 TRP LYS GLN SER ILE TRP THR SER THR ILE SER SER HIS 1DHR 35 SEQRES 10 241 LEU ALA THR LYS HIS LEU LYS GLU GLY GLY LEU LEU THR 1DHR 36 SEQRES 11 241 LEU ALA GLY ALA LYS ALA ALA LEU ASP GLY THR PRO GLY 1DHR 37 SEQRES 12 241 MET ILE GLY TYR GLY MET ALA LYS GLY ALA VAL HIS GLN 1DHR 38 SEQRES 13 241 LEU CYS GLN SER LEU ALA GLY LYS ASN SER GLY MET PRO 1DHR 39 SEQRES 14 241 SER GLY ALA ALA ALA ILE ALA VAL LEU PRO VAL THR LEU 1DHR 40 SEQRES 15 241 ASP THR PRO MET ASN ARG LYS SER MET PRO GLU ALA ASP 1DHR 41 SEQRES 16 241 PHE SER SER TRP THR PRO LEU GLU PHE LEU VAL GLU THR 1DHR 42 SEQRES 17 241 PHE HIS ASP TRP ILE THR GLY ASN LYS ARG PRO ASN SER 1DHR 43 SEQRES 18 241 GLY SER LEU ILE GLN VAL VAL THR THR ASP GLY LYS THR 1DHR 44 SEQRES 19 241 GLU LEU THR PRO ALA TYR PHE 1DHR 45 HET NAD 241 44 NICOTINAMIDE ADENINE DINUCLEOTIDE 1DHR 46 FORMUL 2 NAD C21 H28 N7 O14 P2 1DHR 47 FORMUL 3 HOH *136(H2 O1) 1DHR 48 HELIX 1 B ALA 17 ALA 28 1 1DHR 49 HELIX 2 D PHE 56 LEU 71 1 1DHR 50 HELIX 3 E ALA 91 HIS 121 1 1DHR 51 HELIX 4 F1 LYS 134 LEU 137 5 1DHR 52 HELIX 5 F ILE 144 ALA 161 1 1DHR 53 HELIX 6 G1 PRO 184 SER 189 1 1DHR 54 HELIX 7 G2 PHE 195 SER 197 5 1DHR 55 HELIX 8 G LEU 201 ILE 212 1 1DHR 56 SHEET 1 S1 8 SER 45 VAL 50 0 1DHR 57 SHEET 2 S1 8 TRP 32 ASP 37 -1 O VAL 33 N SER 45 1DHR 58 SHEET 3 S1 8 ARG 7 TYR 12 -1 O ARG 7 N TRP 32 1DHR 59 SHEET 4 S1 8 ASP 77 CYS 81 -1 N ASP 77 O ARG 8 1DHR 60 SHEET 5 S1 8 GLY 126 ALA 131 -1 N LEU 127 O ASP 77 1DHR 61 SHEET 6 S1 8 ALA 172 PRO 200 -1 O ALA 172 N LEU 128 1DHR 62 SHEET 7 S1 8 SER 222 THR 229 -1 O SER 222 N ALA 175 1DHR 63 SHEET 8 S1 8 THR 233 ALA 238 -1 O ALA 238 N SER 222 1DHR 64 TURN 1 T1 GLY 13 GLY 16 1DHR 65 TURN 2 T2 ASN 41 ALA 44 1DHR 66 TURN 3 T3 LEU 71 GLN 74 1DHR 67 TURN 4 T4 ASN 90 SER 93 1DHR 68 TURN 5 T5 LYS 123 GLY 126 1DHR 69 TURN 6 T6 THR 140 MET 143 1DHR 70 TURN 7 T7 GLY 162 SER 165 1DHR 71 TURN 8 T8 PRO 168 ALA 171 1DHR 72 TURN 9 T9 MET 190 ALA 193 1DHR 73 TURN 10 T10 GLY 214 ARG 217 1DHR 74 TURN 11 T11 ASN 219 SER 222 1DHR 75 TURN 12 T12 THR 229 LYS 232 1DHR 76 CRYST1 50.100 139.130 64.930 90.00 90.00 90.00 C 2 2 21 8 1DHR 77 ORIGX1 1.000000 0.000000 0.000000 0.00000 1DHR 78 ORIGX2 0.000000 1.000000 0.000000 0.00000 1DHR 79 ORIGX3 0.000000 0.000000 1.000000 0.00000 1DHR 80 SCALE1 0.019960 0.000000 0.000000 0.00000 1DHR 81 SCALE2 0.000000 0.007188 0.000000 0.00000 1DHR 82 SCALE3 0.000000 0.000000 0.015401 0.00000 1DHR 83