HEADER ONCOGENE PROTEIN 30-APR-90 5P21 5P21 2 COMPND $C-*H-RAS $P21 PROTEIN (AMINO ACIDS 1 - 166) COMPLEX WITH 5P21 3 COMPND 2 GUANOSINE-5'-(BETA,GAMMA-IMIDO) TRIPHOSPHATE (GPP*NP) 5P21 4 SOURCE HUMAN (HOMO $SAPIENS) CELLULAR HARVEY-RAS GENE (TRUNCATED) 5P21 5 SOURCE 2 EXPRESSED IN (ESCHERICHIA $COLI) 5P21 6 AUTHOR E.F.PAI,A.WITTINGHOFER,W.KABSCH 5P21 7 REVDAT 3 20-JUL-95 5P21B 1 HET 5P21B 1 REVDAT 2 30-APR-94 5P21A 1 FORMUL 5P21A 1 REVDAT 1 15-JAN-92 5P21 0 5P21 8 JRNL AUTH E.F.PAI,U.KRENGEL,G.A.PETSKO,R.S.GOODY,W.KABSCH, 5P21 9 JRNL AUTH 2 A.WITTINGHOFER 5P21 10 JRNL TITL REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE 5P21 11 JRNL TITL 2 CONFORMATION OF H-RAS $P21 AT 1.35 ANGSTROMS 5P21 12 JRNL TITL 3 RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF 5P21 13 JRNL TITL 4 /GTP$ HYDROLYSIS 5P21 14 JRNL REF /EMBO$ J. V. 9 2351 1990 5P21 15 JRNL REFN ASTM EMJODG UK ISSN 0261-4189 897 5P21 16 REMARK 1 5P21 17 REMARK 1 REFERENCE 1 5P21 18 REMARK 1 AUTH I.SCHLICHTING,S.C.ALMO,G.RAPP,K.WILSON,K.PETRATOS, 5P21 19 REMARK 1 AUTH 2 A.LENTFER,A.WITTINGHOFER,W.KABSCH,E.F.PAI, 5P21 20 REMARK 1 AUTH 3 G.A.PETSKO,R.S.GOODY 5P21 21 REMARK 1 TITL TIME-RESOLVED X-RAY CRYSTALLOGRAPHIC STUDY OF THE 5P21 22 REMARK 1 TITL 2 CONFORMATIONAL CHANGE IN HA-*RAS $P21 PROTEIN ON 5P21 23 REMARK 1 TITL 3 /GTP$ HYDROLYSIS 5P21 24 REMARK 1 REF NATURE V. 345 309 1990 5P21 25 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 5P21 26 REMARK 1 REFERENCE 2 5P21 27 REMARK 1 AUTH A.SCHERER,J.JOHN,R.LINKE,R.S.GOODY,A.WITTINGHOFER, 5P21 28 REMARK 1 AUTH 2 E.F.PAI,K.C.HOLMES 5P21 29 REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY ANALYSIS OF 5P21 30 REMARK 1 TITL 2 THE HUMAN $C-*H-RAS-*ONCOGENE PRODUCT $P21 5P21 31 REMARK 1 TITL 3 COMPLEXED WITH /GTP$ ANALOGUES 5P21 32 REMARK 1 REF J.MOL.BIOL. V. 206 257 1989 5P21 33 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 5P21 34 REMARK 1 REFERENCE 3 5P21 35 REMARK 1 AUTH E.F.PAI,W.KABSCH,U.KRENGEL,K.C.HOLMES,J.JOHN, 5P21 36 REMARK 1 AUTH 2 A.WITTINGHOFER 5P21 37 REMARK 1 TITL STRUCTURE OF THE GUANINE-NUCLEOTIDE-BINDING DOMAIN 5P21 38 REMARK 1 TITL 2 OF THE HA-RAS ONCOGENE PRODUCT $P21 IN THE 5P21 39 REMARK 1 TITL 3 TRIPHOSPHATE CONFORMATION 5P21 40 REMARK 1 REF NATURE V. 341 209 1989 5P21 41 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 5P21 42 REMARK 1 REFERENCE 4 5P21 43 REMARK 1 AUTH I.SCHLICHTING,G.RAPP,J.JOHN,A.WITTINGHOFER,E.F.PAI, 5P21 44 REMARK 1 AUTH 2 R.S.GOODY 5P21 45 REMARK 1 TITL BIOCHEMICAL AND CRYSTALLOGRAPHIC CHARACTERIZATION 5P21 46 REMARK 1 TITL 2 OF A COMPLEX OF $C-*HA-RAS $P21 AND CAGED /GTP$ 5P21 47 REMARK 1 TITL 3 WITH FLASH PHOTOLYSIS 5P21 48 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 86 7687 1989 5P21 49 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 5P21 50 REMARK 2 5P21 51 REMARK 2 RESOLUTION. 1.35 ANGSTROMS. 5P21 52 REMARK 3 5P21 53 REMARK 3 REFINEMENT. BY THE MOLECULAR DYNAMICS PROCEDURES OF A. 5P21 54 REMARK 3 BRUENGER, J. KURIYAN, AND M. KARPLUS (PROGRAM "XPLOR"). 5P21 55 REMARK 3 THE R VALUE IS 0.196 FOR 26806 REFLECTIONS IN THE 5P21 56 REMARK 3 RESOLUTION RANGE 6.0 TO 1.35 ANGSTROMS. FOR REFLECTIONS 5P21 57 REMARK 3 WITH I > SIGMA(I), THE R-VALUE IS 0.192, 5P21 58 REMARK 3 WITH I > 2*SIGMA(I), THE R-VALUE IS 0.181 AND 5P21 59 REMARK 3 WITH I > 3*SIGMA(I), THE R-VALUES IS 0.174. THE RMS 5P21 60 REMARK 3 DEVIATION FROM IDEALITY OF THE BOND LENGTHS IS 0.014 5P21 61 REMARK 3 ANGSTROMS. THE RMS DEVIATION FROM IDEALITY OF THE BOND 5P21 62 REMARK 3 ANGLES IS 2.7 DEGREES. 5P21 63 REMARK 4 5P21 64 REMARK 4 THIS ENTRY CONTAINS ONLY RESIDUES 1 THROUGH 166. 5P21 65 REMARK 5 5P21 66 REMARK 5 GNP IS GUANOSINE-5'-(BETA,GAMMA-IMIDO) TRIPHOSPHATE 5P21 67 REMARK 5 (GPPNHP). 5P21 68 REMARK 6 5P21 69 REMARK 6 RESIDUES 61 - 65 (GLN - GLU - GLU - TYR - SER) ADOPT 5P21 70 REMARK 6 SEVERAL CONFORMATIONS IN THE CRYSTAL. THE COORDINATES 5P21 71 REMARK 6 GIVEN APPROXIMATE ONE OF THESE. 5P21 72 REMARK 7 5P21A 2 REMARK 7 CORRECTION. REVISE FORMULA FOR GNP ON FORMUL RECORD. 5P21A 3 REMARK 7 30-APR-94. 5P21A 4 REMARK 8 5P21B 2 REMARK 8 CORRECTION. CORRECT RESIDUE NUMBERS ON HET RECORDS. 5P21B 3 REMARK 8 20-JUL-95. 5P21B 4 SEQRES 1 166 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY 5P21 73 SEQRES 2 166 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN 5P21 74 SEQRES 3 166 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER 5P21 75 SEQRES 4 166 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU 5P21 76 SEQRES 5 166 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER 5P21 77 SEQRES 6 166 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE 5P21 78 SEQRES 7 166 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU 5P21 79 SEQRES 8 166 ASP ILE HIS GLN TYR ARG GLU GLN ILE LYS ARG VAL LYS 5P21 80 SEQRES 9 166 ASP SER ASP ASP VAL PRO MET VAL LEU VAL GLY ASN LYS 5P21 81 SEQRES 10 166 CYS ASP LEU ALA ALA ARG THR VAL GLU SER ARG GLN ALA 5P21 82 SEQRES 11 166 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO TYR ILE GLU 5P21 83 SEQRES 12 166 THR SER ALA LYS THR ARG GLN GLY VAL GLU ASP ALA PHE 5P21 84 SEQRES 13 166 TYR THR LEU VAL ARG GLU ILE ARG GLN HIS 5P21 85 FTNOTE 1 THERE ARE MULTIPLE CONFORMATIONS FOR ALL OR PARTS OF THE 5P21 86 FTNOTE 1 SIDE CHAINS OF RESIDUES: 5P21 87 FTNOTE 1 ILE 36, GLN 43, THR 50, GLN 70, VAL 103, ARG 135, 5P21 88 FTNOTE 1 LYS 147, ARG 149, GLN 150, GLN 165 5P21 89 HET GNP 167 12 SEE REMARK 5 5P21B 5 HET MG 168 1 MAGNESIUM ION 5P21B 6 FORMUL 2 GNP C10 H14 N6 O13 P3 -- 5P21A 5 FORMUL 3 MG MG1 5P21 93 FORMUL 4 HOH *211(H2 O1) 5P21 94 HELIX 1 HA LYS 16 GLN 25 1 5P21 95 HELIX 2 HB SER 65 THR 74 1 RES 65-67 IN 3/10 CONF 5P21 96 HELIX 3 HC THR 87 VAL 103 1 BREAK AT ASP 92 5P21 97 HELIX 4 HD SER 127 TYR 137 1 5P21 98 HELIX 5 HE VAL 152 ARG 164 1 5P21 99 SHEET 1 S1 6 GLU 37 ILE 46 0 5P21 100 SHEET 2 S1 6 GLU 49 THR 58 -1 O LEU 53 N LYS 42 5P21 101 SHEET 3 S1 6 THR 2 VAL 9 1 N LEU 6 O ASP 54 5P21 102 SHEET 4 S1 6 GLY 77 ALA 83 1 N LEU 79 O VAL 7 5P21 103 SHEET 5 S1 6 MET 111 ASN 116 1 N VAL 114 O CYS 80 5P21 104 SHEET 6 S1 6 TYR 141 GLU 143 1 N ILE 142 O LEU 113 5P21 105 TURN 1 T1 ALA 11 VAL 14 TYPE II, O 11 - N 13 IS 3.45 A 5P21 106 TURN 2 T2 ILE 46 GLU 49 TYPE I' 5P21 107 TURN 3 T3 ALA 83 ASN 86 TYPE I 5P21 108 TURN 4 T4 ARG 102 ASP 105 TYPE I 5P21 109 TURN 5 T5 LYS 117 LEU 120 5P21 110 TURN 6 T6 SER 145 ARG 149 FIVE RESIDUE TURN 5P21 111 TURN 7 T7 ARG 149 VAL 152 TYPE II 5P21 112 CRYST1 40.300 40.300 162.200 90.00 90.00 120.00 P 32 2 1 6 5P21 113 ORIGX1 1.000000 0.000000 0.000000 0.00000 5P21 114 ORIGX2 0.000000 1.000000 0.000000 0.00000 5P21 115 ORIGX3 0.000000 0.000000 1.000000 0.00000 5P21 116 SCALE1 0.024814 0.014326 0.000000 0.00000 5P21 117 SCALE2 0.000000 0.028653 0.000000 0.00000 5P21 118 SCALE3 0.000000 0.000000 0.006165 0.00000 5P21 119