HEADER OXYGEN STORAGE 10-MAY-93 2MGE 2MGE 2 COMPND MYOGLOBIN (MET) MUTANT WITH INITIATOR MET, ASP 122 REPLACED 2MGE 3 COMPND 2 BY ASN, AND HIS 64 REPLACED BY LEU (MET,D122N,H64L) 2MGE 4 SOURCE SYNTHETIC GENE FOR SPERM WHALE (PHYSETER CATODON) MYOGLOBIN 2MGE 5 SOURCE 2 EXPRESSED IN (ESCHERICHIA COLI) 2MGE 6 AUTHOR M.L.QUILLIN,R.M.ARDUINI,G.N.PHILLIPS JUNIOR 2MGE 7 REVDAT 2 31-JUL-94 2MGEA 1 REMARK 2MGEA 1 REVDAT 1 31-JAN-94 2MGE 0 2MGE 8 JRNL AUTH M.L.QUILLIN,R.M.ARDUINI,J.S.OLSON, 2MGE 9 JRNL AUTH 2 G.N.PHILLIPS JUNIOR 2MGE 10 JRNL TITL HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL 2MGE 11 JRNL TITL 2 HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN 2MGE 12 JRNL REF TO BE PUBLISHED 2MGE 13 JRNL REFN 353 2MGE 14 REMARK 1 2MGE 15 REMARK 1 REFERENCE 1 2MGE 16 REMARK 1 AUTH G.N.PHILLIPS JUNIOR,R.M.ARDUINI,B.A.SPRINGER, 2MGE 17 REMARK 1 AUTH 2 S.G.SLIGAR 2MGE 18 REMARK 1 TITL CRYSTAL STRUCTURE OF MYOGLOBIN FROM A SYNTHETIC 2MGE 19 REMARK 1 TITL 2 GENE 2MGE 20 REMARK 1 REF PROTEINS.STRUCT.,FUNCT., V. 7 358 1990 2MGE 21 REMARK 1 REF 2 GENET. 2MGE 22 REMARK 1 REFN ASTM PSFGEY US ISSN 0887-3585 867 2MGE 23 REMARK 1 REFERENCE 2 2MGE 24 REMARK 1 AUTH B.A.SPRINGER,S.G.SLIGAR 2MGE 25 REMARK 1 TITL HIGH-LEVEL EXPRESSION OF SPERM WHALE MYOGLOBIN IN 2MGE 26 REMARK 1 TITL 2 ESCHERICHIA COLI 2MGE 27 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 84 8961 1987 2MGE 28 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 2MGE 29 REMARK 2 2MGE 30 REMARK 2 RESOLUTION. 1.7 ANGSTROMS. 2MGE 31 REMARK 3 2MGE 32 REMARK 3 REFINEMENT. 2MGE 33 REMARK 3 PROGRAM X-PLOR 2MGE 34 REMARK 3 AUTHORS BRUNGER 2MGE 35 REMARK 3 R VALUE 0.161 2MGE 36 REMARK 3 RMSD BOND DISTANCES 0.023 ANGSTROMS 2MGE 37 REMARK 3 RMSD BOND ANGLES 2.627 DEGREES 2MGE 38 REMARK 3 RMSD DIHEDRAL ANGLES 20.807 DEGREES 2MGE 39 REMARK 3 RMSD IMPROPER ANGLES 4.930 DEGREES 2MGE 40 REMARK 3 2MGE 41 REMARK 3 NUMBER OF REFLECTIONS 16774 2MGE 42 REMARK 3 RESOLUTION RANGE 5.0 - 1.7 ANGSTROMS 2MGE 43 REMARK 3 2MGE 44 REMARK 3 NUMBER OF PROTEIN ATOMS 1271 2MGE 45 REMARK 3 NUMBER OF SOLVENT ATOMS 139 2MGE 46 REMARK 4 2MGE 47 REMARK 4 THIS STRUCTURE HAS THREE DIFFERENCES RELATIVE TO THE NATIVE 2MGE 48 REMARK 4 SPERM WHALE PROTEIN. IT STILL HAS THE INITIATOR 2MGE 49 REMARK 4 METHIONINE, RESIDUE 64 IS LEU INSTEAD OF HIS, AND RESIDUE 2MGE 50 REMARK 4 122 IS ASN INSTEAD OF ASP. 2MGE 51 REMARK 5 2MGEA 2 REMARK 5 CORRECTION. REMOVE INCORRECT REMARK 5. 31-JUL-94. 2MGEA 3 SEQRES 1 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS 2MGE 55 SEQRES 2 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY 2MGE 56 SEQRES 3 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU 2MGE 57 SEQRES 4 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR 2MGE 58 SEQRES 5 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS LEU 2MGE 59 SEQRES 6 154 GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS 2MGE 60 SEQRES 7 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA 2MGE 61 SEQRES 8 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR 2MGE 62 SEQRES 9 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS 2MGE 63 SEQRES 10 154 SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY 2MGE 64 SEQRES 11 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE 2MGE 65 SEQRES 12 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY 2MGE 66 HET HEM 154 43 PROTOPORPHYRIN IX CONTAINS FE(II) 2MGE 67 HET SO4 156 5 SULFATE 2MGE 68 FORMUL 2 HEM C34 H32 N4 O4 FE1 ++ 2MGE 69 FORMUL 3 SO4 O4 S1 2MGE 70 FORMUL 4 HOH *139(H2 O1) 2MGE 71 HELIX 1 A SER 3 GLU 18 1 2MGE 72 HELIX 2 B ASP 20 SER 35 1 2MGE 73 HELIX 3 C HIS 36 LYS 42 1 2MGE 74 HELIX 4 D THR 51 ALA 57 1 2MGE 75 HELIX 5 E SER 58 LYS 77 1 2MGE 76 HELIX 6 F LEU 86 THR 95 1 BREAK AT PRO 88 2MGE 77 HELIX 7 G PRO 100 ARG 118 1 2MGE 78 HELIX 8 H GLY 124 LEU 149 1 2MGE 79 CRYST1 91.200 91.200 45.870 90.00 90.00 120.00 P 6 6 2MGE 80 ORIGX1 1.000000 0.000000 0.000000 0.00000 2MGE 81 ORIGX2 0.000000 1.000000 0.000000 0.00000 2MGE 82 ORIGX3 0.000000 0.000000 1.000000 0.00000 2MGE 83 SCALE1 0.010965 0.006331 0.000000 0.00000 2MGE 84 SCALE2 0.000000 0.012661 0.000000 0.00000 2MGE 85 SCALE3 0.000000 0.000000 0.021801 0.00000 2MGE 86