HEADER HYDROLASE(IN LINEAR AMIDES) 18-MAY-92 1NBA 1NBA 2 COMPND N-CARBAMOYLSARCOSINE AMIDOHYDROLASE (E.C.3.5.1.59) 1NBA 3 SOURCE (ARTHROBACTER SP.) 1NBA 4 AUTHOR M.J.ROMAO,D.TURK,F.-Z.GOMIS-RUTH,R.HUBER,G.SCHUMACHER, 1NBA 5 AUTHOR 2 H.MOLLERING,L.RUSSMANN 1NBA 6 REVDAT 1 22-JUN-94 1NBA 0 1NBA 7 JRNL AUTH M.J.ROMAO,D.TURK,F.-X.GOMIS-RUTH,R.HUBER, 1NBA 8 JRNL AUTH 2 G.SCHUMACHER,H.MOLLERING,L.RUSSMANN 1NBA 9 JRNL TITL CRYSTAL STRUCTURE ANALYSIS, REFINEMENT AND 1NBA 10 JRNL TITL 2 ENZYMATIC REACTION MECHANISM OF 1NBA 11 JRNL TITL 3 N-CARBAMOYLSARCOSINE AMIDOHYDROLASE FROM 1NBA 12 JRNL TITL 4 ARTHROBACTER SP. AT 2.0 ANGSTROMS RESOLUTION 1NBA 13 JRNL REF J.MOL.BIOL. V. 226 1111 1992 1NBA 14 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 1NBA 15 REMARK 1 1NBA 16 REMARK 2 1NBA 17 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1NBA 18 REMARK 3 1NBA 19 REMARK 3 REFINEMENT. 1NBA 20 REMARK 3 PROGRAM X-PLOR 1NBA 21 REMARK 3 AUTHORS BRUNGER 1NBA 22 REMARK 3 R VALUE 0.186 1NBA 23 REMARK 3 RMSD BOND DISTANCES 0.010 ANGSTROMS 1NBA 24 REMARK 3 RMSD BOND ANGLES 2.7 DEGREES 1NBA 25 SEQRES 1 A 264 MET THR GLU THR SER GLY THR PHE ASN ASP ILE GLU ALA 1NBA 26 SEQRES 2 A 264 ARG LEU ALA ALA VAL LEU GLU GLU ALA PHE GLU ALA GLY 1NBA 27 SEQRES 3 A 264 THR SER ILE TYR ASN GLU ARG GLY PHE LYS ARG ARG ILE 1NBA 28 SEQRES 4 A 264 GLY TYR GLY ASN ARG PRO ALA VAL ILE HIS ILE ASP LEU 1NBA 29 SEQRES 5 A 264 ALA ASN ALA TRP THR GLN PRO GLY HIS PRO PHE SER CYS 1NBA 30 SEQRES 6 A 264 PRO GLY MET GLU THR ILE ILE PRO ASN VAL GLN ARG ILE 1NBA 31 SEQRES 7 A 264 ASN GLU ALA ALA ARG ALA LYS GLY VAL PRO VAL PHE TYR 1NBA 32 SEQRES 8 A 264 THR THR ASN VAL TYR ARG ASN ARG ASP ALA SER SER GLY 1NBA 33 SEQRES 9 A 264 THR ASN ASP MET GLY LEU TRP TYR SER LYS ILE PRO THR 1NBA 34 SEQRES 10 A 264 GLU THR LEU PRO ALA ASP SER TYR TRP ALA GLN ILE ASP 1NBA 35 SEQRES 11 A 264 ASP ARG ILE ALA PRO ALA ASP GLY GLU VAL VAL ILE GLU 1NBA 36 SEQRES 12 A 264 LYS ASN ARG ALA SER ALA PHE PRO GLY THR ASN LEU GLU 1NBA 37 SEQRES 13 A 264 LEU PHE LEU THR SER ASN ARG ILE ASP THR LEU ILE VAL 1NBA 38 SEQRES 14 A 264 THR GLY ALA THR ALA ALA GLY CYS VAL ARG HIS THR VAL 1NBA 39 SEQRES 15 A 264 GLU ASP ALA ILE ALA LYS GLY PHE ARG PRO ILE ILE PRO 1NBA 40 SEQRES 16 A 264 ARG GLU THR ILE GLY ASP ARG VAL PRO GLY VAL VAL GLN 1NBA 41 SEQRES 17 A 264 TRP ASN LEU TYR ASP ILE ASP ASN LYS PHE GLY ASP VAL 1NBA 42 SEQRES 18 A 264 GLU SER THR ASP SER VAL VAL GLN TYR LEU ASP ALA LEU 1NBA 43 SEQRES 19 A 264 PRO GLN PHE GLU ASP THR VAL PRO LYS THR LEU SER ASP 1NBA 44 SEQRES 20 A 264 PRO GLN PRO GLU VAL GLU ALA PRO ALA ASP PRO VAL PHE 1NBA 45 SEQRES 21 A 264 ALA GLU GLN HIS 1NBA 46 SEQRES 1 B 264 MET THR GLU THR SER GLY THR PHE ASN ASP ILE GLU ALA 1NBA 47 SEQRES 2 B 264 ARG LEU ALA ALA VAL LEU GLU GLU ALA PHE GLU ALA GLY 1NBA 48 SEQRES 3 B 264 THR SER ILE TYR ASN GLU ARG GLY PHE LYS ARG ARG ILE 1NBA 49 SEQRES 4 B 264 GLY TYR GLY ASN ARG PRO ALA VAL ILE HIS ILE ASP LEU 1NBA 50 SEQRES 5 B 264 ALA ASN ALA TRP THR GLN PRO GLY HIS PRO PHE SER CYS 1NBA 51 SEQRES 6 B 264 PRO GLY MET GLU THR ILE ILE PRO ASN VAL GLN ARG ILE 1NBA 52 SEQRES 7 B 264 ASN GLU ALA ALA ARG ALA LYS GLY VAL PRO VAL PHE TYR 1NBA 53 SEQRES 8 B 264 THR THR ASN VAL TYR ARG ASN ARG ASP ALA SER SER GLY 1NBA 54 SEQRES 9 B 264 THR ASN ASP MET GLY LEU TRP TYR SER LYS ILE PRO THR 1NBA 55 SEQRES 10 B 264 GLU THR LEU PRO ALA ASP SER TYR TRP ALA GLN ILE ASP 1NBA 56 SEQRES 11 B 264 ASP ARG ILE ALA PRO ALA ASP GLY GLU VAL VAL ILE GLU 1NBA 57 SEQRES 12 B 264 LYS ASN ARG ALA SER ALA PHE PRO GLY THR ASN LEU GLU 1NBA 58 SEQRES 13 B 264 LEU PHE LEU THR SER ASN ARG ILE ASP THR LEU ILE VAL 1NBA 59 SEQRES 14 B 264 THR GLY ALA THR ALA ALA GLY CYS VAL ARG HIS THR VAL 1NBA 60 SEQRES 15 B 264 GLU ASP ALA ILE ALA LYS GLY PHE ARG PRO ILE ILE PRO 1NBA 61 SEQRES 16 B 264 ARG GLU THR ILE GLY ASP ARG VAL PRO GLY VAL VAL GLN 1NBA 62 SEQRES 17 B 264 TRP ASN LEU TYR ASP ILE ASP ASN LYS PHE GLY ASP VAL 1NBA 63 SEQRES 18 B 264 GLU SER THR ASP SER VAL VAL GLN TYR LEU ASP ALA LEU 1NBA 64 SEQRES 19 B 264 PRO GLN PHE GLU ASP THR VAL PRO LYS THR LEU SER ASP 1NBA 65 SEQRES 20 B 264 PRO GLN PRO GLU VAL GLU ALA PRO ALA ASP PRO VAL PHE 1NBA 66 SEQRES 21 B 264 ALA GLU GLN HIS 1NBA 67 SEQRES 1 C 264 MET THR GLU THR SER GLY THR PHE ASN ASP ILE GLU ALA 1NBA 68 SEQRES 2 C 264 ARG LEU ALA ALA VAL LEU GLU GLU ALA PHE GLU ALA GLY 1NBA 69 SEQRES 3 C 264 THR SER ILE TYR ASN GLU ARG GLY PHE LYS ARG ARG ILE 1NBA 70 SEQRES 4 C 264 GLY TYR GLY ASN ARG PRO ALA VAL ILE HIS ILE ASP LEU 1NBA 71 SEQRES 5 C 264 ALA ASN ALA TRP THR GLN PRO GLY HIS PRO PHE SER CYS 1NBA 72 SEQRES 6 C 264 PRO GLY MET GLU THR ILE ILE PRO ASN VAL GLN ARG ILE 1NBA 73 SEQRES 7 C 264 ASN GLU ALA ALA ARG ALA LYS GLY VAL PRO VAL PHE TYR 1NBA 74 SEQRES 8 C 264 THR THR ASN VAL TYR ARG ASN ARG ASP ALA SER SER GLY 1NBA 75 SEQRES 9 C 264 THR ASN ASP MET GLY LEU TRP TYR SER LYS ILE PRO THR 1NBA 76 SEQRES 10 C 264 GLU THR LEU PRO ALA ASP SER TYR TRP ALA GLN ILE ASP 1NBA 77 SEQRES 11 C 264 ASP ARG ILE ALA PRO ALA ASP GLY GLU VAL VAL ILE GLU 1NBA 78 SEQRES 12 C 264 LYS ASN ARG ALA SER ALA PHE PRO GLY THR ASN LEU GLU 1NBA 79 SEQRES 13 C 264 LEU PHE LEU THR SER ASN ARG ILE ASP THR LEU ILE VAL 1NBA 80 SEQRES 14 C 264 THR GLY ALA THR ALA ALA GLY CYS VAL ARG HIS THR VAL 1NBA 81 SEQRES 15 C 264 GLU ASP ALA ILE ALA LYS GLY PHE ARG PRO ILE ILE PRO 1NBA 82 SEQRES 16 C 264 ARG GLU THR ILE GLY ASP ARG VAL PRO GLY VAL VAL GLN 1NBA 83 SEQRES 17 C 264 TRP ASN LEU TYR ASP ILE ASP ASN LYS PHE GLY ASP VAL 1NBA 84 SEQRES 18 C 264 GLU SER THR ASP SER VAL VAL GLN TYR LEU ASP ALA LEU 1NBA 85 SEQRES 19 C 264 PRO GLN PHE GLU ASP THR VAL PRO LYS THR LEU SER ASP 1NBA 86 SEQRES 20 C 264 PRO GLN PRO GLU VAL GLU ALA PRO ALA ASP PRO VAL PHE 1NBA 87 SEQRES 21 C 264 ALA GLU GLN HIS 1NBA 88 SEQRES 1 D 264 MET THR GLU THR SER GLY THR PHE ASN ASP ILE GLU ALA 1NBA 89 SEQRES 2 D 264 ARG LEU ALA ALA VAL LEU GLU GLU ALA PHE GLU ALA GLY 1NBA 90 SEQRES 3 D 264 THR SER ILE TYR ASN GLU ARG GLY PHE LYS ARG ARG ILE 1NBA 91 SEQRES 4 D 264 GLY TYR GLY ASN ARG PRO ALA VAL ILE HIS ILE ASP LEU 1NBA 92 SEQRES 5 D 264 ALA ASN ALA TRP THR GLN PRO GLY HIS PRO PHE SER CYS 1NBA 93 SEQRES 6 D 264 PRO GLY MET GLU THR ILE ILE PRO ASN VAL GLN ARG ILE 1NBA 94 SEQRES 7 D 264 ASN GLU ALA ALA ARG ALA LYS GLY VAL PRO VAL PHE TYR 1NBA 95 SEQRES 8 D 264 THR THR ASN VAL TYR ARG ASN ARG ASP ALA SER SER GLY 1NBA 96 SEQRES 9 D 264 THR ASN ASP MET GLY LEU TRP TYR SER LYS ILE PRO THR 1NBA 97 SEQRES 10 D 264 GLU THR LEU PRO ALA ASP SER TYR TRP ALA GLN ILE ASP 1NBA 98 SEQRES 11 D 264 ASP ARG ILE ALA PRO ALA ASP GLY GLU VAL VAL ILE GLU 1NBA 99 SEQRES 12 D 264 LYS ASN ARG ALA SER ALA PHE PRO GLY THR ASN LEU GLU 1NBA 100 SEQRES 13 D 264 LEU PHE LEU THR SER ASN ARG ILE ASP THR LEU ILE VAL 1NBA 101 SEQRES 14 D 264 THR GLY ALA THR ALA ALA GLY CYS VAL ARG HIS THR VAL 1NBA 102 SEQRES 15 D 264 GLU ASP ALA ILE ALA LYS GLY PHE ARG PRO ILE ILE PRO 1NBA 103 SEQRES 16 D 264 ARG GLU THR ILE GLY ASP ARG VAL PRO GLY VAL VAL GLN 1NBA 104 SEQRES 17 D 264 TRP ASN LEU TYR ASP ILE ASP ASN LYS PHE GLY ASP VAL 1NBA 105 SEQRES 18 D 264 GLU SER THR ASP SER VAL VAL GLN TYR LEU ASP ALA LEU 1NBA 106 SEQRES 19 D 264 PRO GLN PHE GLU ASP THR VAL PRO LYS THR LEU SER ASP 1NBA 107 SEQRES 20 D 264 PRO GLN PRO GLU VAL GLU ALA PRO ALA ASP PRO VAL PHE 1NBA 108 SEQRES 21 D 264 ALA GLU GLN HIS 1NBA 109 FTNOTE 1 1NBA 110 FTNOTE 1 ALA A 172 - THR A 173 OMEGA =352.97 1NBA 111 FTNOTE 1 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 1NBA 112 FTNOTE 2 1NBA 113 FTNOTE 2 ALA B 172 - THR B 173 OMEGA =354.44 1NBA 114 FTNOTE 2 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 1NBA 115 FTNOTE 3 1NBA 116 FTNOTE 3 ALA C 172 - THR C 173 OMEGA =352.97 1NBA 117 FTNOTE 3 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 1NBA 118 FTNOTE 4 1NBA 119 FTNOTE 4 ALA D 172 - THR D 173 OMEGA =355.08 1NBA 120 FTNOTE 4 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 1NBA 121 HET SO4 A 400 5 SULFATE 1NBA 122 HET SO4 B 400 5 SULFATE 1NBA 123 HET SO4 C 400 5 SULFATE 1NBA 124 HET SO4 D 400 5 SULFATE 1NBA 125 FORMUL 5 SO4 4(O4 S1) 1NBA 126 FORMUL 6 HOH *431(H2 O1) 1NBA 127 CRYST1 136.220 122.290 70.870 90.00 91.82 90.00 C 2 4 1NBA 128 ORIGX1 1.000000 0.000000 0.031776 0.00000 1NBA 129 ORIGX2 0.000000 1.000000 0.000000 0.00000 1NBA 130 ORIGX3 0.000000 0.000000 1.000505 0.00000 1NBA 131 SCALE1 0.007341 0.000000 0.000233 0.00000 1NBA 132 SCALE2 0.000000 0.008177 0.000000 0.00000 1NBA 133 SCALE3 0.000000 0.000000 0.014117 0.00000 1NBA 134