HEADER HYDROLASE(ACTING ON ACID ANHYDRIDES) 18-MAY-94 2HSC 2HSC 2 COMPND HEAT-SHOCK COGNATE 7OKD PROTEIN (44KD ATPASE N-TERMINAL 2HSC 3 COMPND 2 FRAGMENT) (E.C.3.6.1.3) 2HSC 4 SOURCE BOVINE (BOS TAURUS) BRAIN RECOMBINANT FORM 2HSC 5 AUTHOR K.M.FLAHERTY,C.R.DELUCA-FLAHERTY,D.B.MCKAY 2HSC 6 REVDAT 1 31-AUG-94 2HSC 0 2HSC 7 SPRSDE 31-AUG-94 2HSC 1HSC 2HSC 8 JRNL AUTH K.M.FLAHERTY,C.R.DELUCA-FLAHERTY,D.B.MCKAY 2HSC 9 JRNL TITL THREE-DIMENSIONAL STRUCTURE OF THE ATPASE 2HSC 10 JRNL TITL 2 FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN 2HSC 11 JRNL REF NATURE V. 346 623 1990 2HSC 12 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 0006 2HSC 13 REMARK 1 2HSC 14 REMARK 1 REFERENCE 1 2HSC 15 REMARK 1 AUTH K.M.FLAHERTY,S.M.WILBANKS,C.DELUCA-FLAHERTY, 2HSC 16 REMARK 1 AUTH 2 D.B.MCKAY 2HSC 17 REMARK 1 TITL STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK 2HSC 18 REMARK 1 TITL 2 COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. 2HSC 19 REMARK 1 TITL 3 STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND 2HSC 20 REMARK 1 TITL 4 TO WILD TYPE AND MUTANT ATPASE FRAGMENT 2HSC 21 REMARK 1 REF J.BIOL.CHEM. V. 269 12899 1994 2HSC 22 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 2HSC 23 REMARK 2 2HSC 24 REMARK 2 RESOLUTION. 2.07 ANGSTROMS. 2HSC 25 REMARK 3 2HSC 26 REMARK 3 REFINEMENT. 2HSC 27 REMARK 3 PROGRAM X-PLOR 2HSC 28 REMARK 3 AUTHORS BRUNGER 2HSC 29 REMARK 3 R VALUE 0.210 2HSC 30 REMARK 3 RMSD BOND DISTANCES 0.007 ANGSTROMS 2HSC 31 REMARK 3 RMSD BOND ANGLES 1.4 DEGREES 2HSC 32 REMARK 3 2HSC 33 REMARK 3 NUMBER OF REFLECTIONS 21588 2HSC 34 REMARK 3 RESOLUTION RANGE 6.0 - 1.93 ANGSTROMS 2HSC 35 REMARK 3 DATA CUTOFF 2.0 SIGMA(F) 2HSC 36 REMARK 3 PERCENT COMPLETION 65.4 2HSC 37 REMARK 3 2HSC 38 REMARK 3 NUMBER OF PROTEIN ATOMS 2959 2HSC 39 REMARK 3 NUMBER OF SOLVENT ATOMS 180 2HSC 40 REMARK 4 2HSC 41 REMARK 4 MONOVALENT IONS HAVE NOT BEEN DISTINGUISHED FROM WATER 2HSC 42 REMARK 4 MOLECULES IN THIS STRUCTURE. 2HSC 43 REMARK 5 2HSC 44 REMARK 5 RESIDUES 1, 2, 385, AND 386 COULD NOT BE LOCATED IN THE 2HSC 45 REMARK 5 ELECTRON DENSITY MAP. 2HSC 46 REMARK 6 2HSC 47 REMARK 6 CROSS REFERENCE TO SEQUENCE DATABASE 2HSC 48 REMARK 6 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 2HSC 49 REMARK 6 HS7C_BOVIN 2HSC 50 SEQRES 1 386 MET SER LYS GLY PRO ALA VAL GLY ILE ASP LEU GLY THR 2HSC 51 SEQRES 2 386 THR TYR SER CYS VAL GLY VAL PHE GLN HIS GLY LYS VAL 2HSC 52 SEQRES 3 386 GLU ILE ILE ALA ASN ASP GLN GLY ASN ARG THR THR PRO 2HSC 53 SEQRES 4 386 SER TYR VAL ALA PHE THR ASP THR GLU ARG LEU ILE GLY 2HSC 54 SEQRES 5 386 ASP ALA ALA LYS ASN GLN VAL ALA MET ASN PRO THR ASN 2HSC 55 SEQRES 6 386 THR VAL PHE ASP ALA LYS ARG LEU ILE GLY ARG ARG PHE 2HSC 56 SEQRES 7 386 ASP ASP ALA VAL VAL GLN SER ASP MET LYS HIS TRP PRO 2HSC 57 SEQRES 8 386 PHE MET VAL VAL ASN ASP ALA GLY ARG PRO LYS VAL GLN 2HSC 58 SEQRES 9 386 VAL GLU TYR LYS GLY GLU THR LYS SER PHE TYR PRO GLU 2HSC 59 SEQRES 10 386 GLU VAL SER SER MET VAL LEU THR LYS MET LYS GLU ILE 2HSC 60 SEQRES 11 386 ALA GLU ALA TYR LEU GLY LYS THR VAL THR ASN ALA VAL 2HSC 61 SEQRES 12 386 VAL THR VAL PRO ALA TYR PHE ASN ASP SER GLN ARG GLN 2HSC 62 SEQRES 13 386 ALA THR LYS ASP ALA GLY THR ILE ALA GLY LEU ASN VAL 2HSC 63 SEQRES 14 386 LEU ARG ILE ILE ASN GLU PRO THR ALA ALA ALA ILE ALA 2HSC 64 SEQRES 15 386 TYR GLY LEU ASP LYS LYS VAL GLY ALA GLU ARG ASN VAL 2HSC 65 SEQRES 16 386 LEU ILE PHE ASP LEU GLY GLY GLY THR PHE ASP VAL SER 2HSC 66 SEQRES 17 386 ILE LEU THR ILE GLU ASP GLY ILE PHE GLU VAL LYS SER 2HSC 67 SEQRES 18 386 THR ALA GLY ASP THR HIS LEU GLY GLY GLU ASP PHE ASP 2HSC 68 SEQRES 19 386 ASN ARG MET VAL ASN HIS PHE ILE ALA GLU PHE LYS ARG 2HSC 69 SEQRES 20 386 LYS HIS LYS LYS ASP ILE SER GLU ASN LYS ARG ALA VAL 2HSC 70 SEQRES 21 386 ARG ARG LEU ARG THR ALA CYS GLU ARG ALA LYS ARG THR 2HSC 71 SEQRES 22 386 LEU SER SER SER THR GLN ALA SER ILE GLU ILE ASP SER 2HSC 72 SEQRES 23 386 LEU TYR GLU GLY ILE ASP PHE TYR THR SER ILE THR ARG 2HSC 73 SEQRES 24 386 ALA ARG PHE GLU GLU LEU ASN ALA ASP LEU PHE ARG GLY 2HSC 74 SEQRES 25 386 THR LEU ASP PRO VAL GLU LYS ALA LEU ARG ASP ALA LYS 2HSC 75 SEQRES 26 386 LEU ASP LYS SER GLN ILE HIS ASP ILE VAL LEU VAL GLY 2HSC 76 SEQRES 27 386 GLY SER THR ARG ILE PRO LYS ILE GLN LYS LEU LEU GLN 2HSC 77 SEQRES 28 386 ASP PHE PHE ASN GLY LYS GLU LEU ASN LYS SER ILE ASN 2HSC 78 SEQRES 29 386 PRO ASP GLU ALA VAL ALA TYR GLY ALA ALA VAL GLN ALA 2HSC 79 SEQRES 30 386 ALA ILE LEU SER GLY ASP LYS SER GLU 2HSC 80 HET ADP 486 27 ADENOSINE DIPHOSPHATE 2HSC 81 HET MG 487 1 MAGNESIUM ++ 2HSC 82 HET PO4 488 5 PHOSPHATE GROUP 2HSC 83 FORMUL 2 ADP C10 H15 N5 O10 P2 2HSC 84 FORMUL 3 MG MG1 ++ 2HSC 85 FORMUL 4 PO4 O4 P1 2HSC 86 FORMUL 5 HOH *180(H2 O1) 2HSC 87 CRYST1 145.300 65.000 46.900 90.00 90.00 90.00 P 21 21 21 4 2HSC 88 ORIGX1 1.000000 0.000000 0.000000 0.00000 2HSC 89 ORIGX2 0.000000 1.000000 0.000000 0.00000 2HSC 90 ORIGX3 0.000000 0.000000 1.000000 0.00000 2HSC 91 SCALE1 0.006882 0.000000 0.000000 0.00000 2HSC 92 SCALE2 0.000000 0.015385 0.000000 0.00000 2HSC 93 SCALE3 0.000000 0.000000 0.021322 0.00000 2HSC 94