HEADER HYDROLASE(ACTING IN CYCLICAMIDINES) 22-DEC-92 1ADD 1ADD 2 COMPND ADENOSINE DEAMINASE (E.C.3.5.4.4) COMPLEXED WITH 1ADD 3 COMPND 2 1-DEAZA-ADENOSINE (DAA) 1ADD 4 SOURCE MOUSE (MUS MUSCULUS) RECOMBINANT FORM EXPRESSED 1ADD 5 SOURCE 2 IN (ESCHERICHIA COLI) 1ADD 6 AUTHOR D.K.WILSON,F.A.QUIOCHO 1ADD 7 REVDAT 1 31-JAN-94 1ADD 0 1ADD 8 JRNL AUTH D.K.WILSON,F.A.QUIOCHO 1ADD 9 JRNL TITL A PRE-TRANSITION STATE MIMIC OF AN ENZYME: X-RAY 1ADD 10 JRNL TITL 2 STRUCTURE OF ADENOSINE DEAMINASE WITH BOUND 1ADD 11 JRNL TITL 3 1-DEAZA-ADENOSINE AND ZINC-ACTIVATED WATER 1ADD 12 JRNL REF BIOCHEMISTRY V. 32 1689 1993 1ADD 13 JRNL REFN ASTM BICHAW US ISSN 0006-2960 033 1ADD 14 REMARK 1 1ADD 15 REMARK 1 REFERENCE 1 1ADD 16 REMARK 1 AUTH D.K.WILSON,F.B.RUDOLPH,F.A.QUIOCHO 1ADD 17 REMARK 1 TITL ATOMIC STRUCTURE OF ADENOSINE DEAMINASE COMPLEXED 1ADD 18 REMARK 1 TITL 2 WITH A TRANSITION ANALOG: UNDERSTANDING 1ADD 19 REMARK 1 TITL 3 CATALYSIS AND IMMUNODEFICIENCY MUTATIONS 1ADD 20 REMARK 1 REF SCIENCE V. 252 1278 1991 1ADD 21 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 038 1ADD 22 REMARK 1 REFERENCE 2 1ADD 23 REMARK 1 AUTH D.K.WILSON,F.B.RUDOLPH,M.L.HARRISON,R.E.KELLEMS, 1ADD 24 REMARK 1 AUTH 2 F.A.QUIOCHO 1ADD 25 REMARK 1 TITL PRELIMINARY X-RAY ANALYSIS OF MURINE ADENOSINE 1ADD 26 REMARK 1 TITL 2 DEAMINASE 1ADD 27 REMARK 1 REF J.MOL.BIOL. V. 200 613 1988 1ADD 28 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1ADD 29 REMARK 2 1ADD 30 REMARK 2 RESOLUTION. 2.4 ANGSTROMS. 1ADD 31 REMARK 3 1ADD 32 REMARK 3 REFINEMENT. 1ADD 33 REMARK 3 PROGRAM X-PLOR 1ADD 34 REMARK 3 AUTHORS BRUNGER 1ADD 35 REMARK 3 R VALUE 0.181 1ADD 36 REMARK 3 RMSD BOND DISTANCES 0.010 ANGSTROMS 1ADD 37 REMARK 3 RMSD BOND ANGLES 1.71 DEGREES 1ADD 38 SEQRES 1 349 THR PRO ALA PHE ASN LYS PRO LYS VAL GLU LEU HIS VAL 1ADD 39 SEQRES 2 349 HIS LEU ASP GLY ALA ILE LYS PRO GLU THR ILE LEU TYR 1ADD 40 SEQRES 3 349 PHE GLY LYS LYS ARG GLY ILE ALA LEU PRO ALA ASP THR 1ADD 41 SEQRES 4 349 VAL GLU GLU LEU ARG ASN ILE ILE GLY MET ASP LYS PRO 1ADD 42 SEQRES 5 349 LEU SER LEU PRO GLY PHE LEU ALA LYS PHE ASP TYR TYR 1ADD 43 SEQRES 6 349 MET PRO VAL ILE ALA GLY CYS ARG GLU ALA ILE LYS ARG 1ADD 44 SEQRES 7 349 ILE ALA TYR GLU PHE VAL GLU MET LYS ALA LYS GLU GLY 1ADD 45 SEQRES 8 349 VAL VAL TYR VAL GLU VAL ARG TYR SER PRO HIS LEU LEU 1ADD 46 SEQRES 9 349 ALA ASN SER LYS VAL ASP PRO MET PRO TRP ASN GLN THR 1ADD 47 SEQRES 10 349 GLU GLY ASP VAL THR PRO ASP ASP VAL VAL ASP LEU VAL 1ADD 48 SEQRES 11 349 ASN GLN GLY LEU GLN GLU GLY GLU GLN ALA PHE GLY ILE 1ADD 49 SEQRES 12 349 LYS VAL ARG SER ILE LEU CYS CYS MET ARG HIS GLN PRO 1ADD 50 SEQRES 13 349 SER TRP SER LEU GLU VAL LEU GLU LEU CYS LYS LYS TYR 1ADD 51 SEQRES 14 349 ASN GLN LYS THR VAL VAL ALA MET ASP LEU ALA GLY ASP 1ADD 52 SEQRES 15 349 GLU THR ILE GLU GLY SER SER LEU PHE PRO GLY HIS VAL 1ADD 53 SEQRES 16 349 GLU ALA TYR GLU GLY ALA VAL LYS ASN GLY ILE HIS ARG 1ADD 54 SEQRES 17 349 THR VAL HIS ALA GLY GLU VAL GLY SER PRO GLU VAL VAL 1ADD 55 SEQRES 18 349 ARG GLU ALA VAL ASP ILE LEU LYS THR GLU ARG VAL GLY 1ADD 56 SEQRES 19 349 HIS GLY TYR HIS THR ILE GLU ASP GLU ALA LEU TYR ASN 1ADD 57 SEQRES 20 349 ARG LEU LEU LYS GLU ASN MET HIS PHE GLU VAL CYS PRO 1ADD 58 SEQRES 21 349 TRP SER SER TYR LEU THR GLY ALA TRP ASP PRO LYS THR 1ADD 59 SEQRES 22 349 THR HIS ALA VAL VAL ARG PHE LYS ASN ASP LYS ALA ASN 1ADD 60 SEQRES 23 349 TYR SER LEU ASN THR ASP ASP PRO LEU ILE PHE LYS SER 1ADD 61 SEQRES 24 349 THR LEU ASP THR ASP TYR GLN MET THR LYS LYS ASP MET 1ADD 62 SEQRES 25 349 GLY PHE THR GLU GLU GLU PHE LYS ARG LEU ASN ILE ASN 1ADD 63 SEQRES 26 349 ALA ALA LYS SER SER PHE LEU PRO GLU GLU GLU LYS LYS 1ADD 64 SEQRES 27 349 GLU LEU LEU GLU ARG LEU TYR ARG GLU TYR GLN 1ADD 65 HET 1DA 353 19 1-DEAZA-ADENOSINE 1ADD 66 HET ZN 400 1 ZINC 1ADD 67 FORMUL 2 1DA C11 H14 N4 O4 1ADD 68 FORMUL 3 ZN ZN1 ++ 1ADD 69 FORMUL 4 HOH *110(H2 O1) 1ADD 70 CRYST1 102.390 94.280 73.020 90.00 127.05 90.00 C 2 4 1ADD 71 ORIGX1 1.000000 0.000000 0.000000 0.00000 1ADD 72 ORIGX2 0.000000 1.000000 0.000000 0.00000 1ADD 73 ORIGX3 0.000000 0.000000 1.000000 0.00000 1ADD 74 SCALE1 0.009767 0.000000 0.007373 0.00000 1ADD 75 SCALE2 0.000000 0.010607 0.000000 0.00000 1ADD 76 SCALE3 0.000000 0.000000 0.017159 0.00000 1ADD 77