HEADER BINDING PROTEIN 20-JUL-92 1MDC 1MDC 2 COMPND FATTY ACID BINDING PROTEIN (MANDUCA SEXTA) (MFB2) 1MDC 3 SOURCE TOBACCO HORNWORM (MANDUCA SEXTA L.) 1MDC 4 AUTHOR M.BENNING,H.M.HOLDEN 1MDC 5 REVDAT 2 30-APR-94 1MDCA 3 HET FORMUL HETATM CONECT 1MDCA 1 REVDAT 1 31-JAN-94 1MDC 0 1MDC 6 JRNL AUTH M.M.BENNING,A.F.SMITH,M.A.WELLS,H.M.HOLDEN 1MDC 7 JRNL TITL CRYSTALLIZATION, STRUCTURE DETERMINATION AND 1MDC 8 JRNL TITL 2 LEAST-SQUARES REFINEMENT TO 1.75 ANGSTROMS 1MDC 9 JRNL TITL 3 RESOLUTION OF THE FATTY-ACID-BINDING PROTEIN 1MDC 10 JRNL TITL 4 ISOLATED FROM MANDUCA SEXTA L 1MDC 11 JRNL REF J.MOL.BIOL. V. 228 208 1992 1MDC 12 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 1MDC 13 REMARK 1 1MDC 14 REMARK 2 1MDC 15 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. 1MDC 16 REMARK 3 1MDC 17 REMARK 3 REFINEMENT. 1MDC 18 REMARK 3 PROGRAM TNT 1MDC 19 REMARK 3 AUTHORS TRONRUD,TEN EYCK,MATTHEWS 1MDC 20 REMARK 3 R VALUE 0.173 1MDC 21 REMARK 3 RMSD BOND DISTANCES 0.016 ANGSTROMS 1MDC 22 REMARK 3 RMSD BOND ANGLES 2.68 DEGREES 1MDC 23 REMARK 3 1MDC 24 REMARK 3 NUMBER OF REFLECTIONS 10674 1MDC 25 REMARK 3 RESOLUTION RANGE 30.0 - 1.75 ANGSTROMS 1MDC 26 REMARK 3 DATA CUTOFF 0.0 SIGMA(F) 1MDC 27 REMARK 3 PERCENT COMPLETION 0.96 1MDC 28 REMARK 3 1MDC 29 REMARK 3 NUMBER OF PROTEIN ATOMS 1090 1MDC 30 REMARK 3 NUMBER OF SOLVENT ATOMS 70 1MDC 31 REMARK 4 1MDC 32 REMARK 4 SEQUENCE ADVISORY NOTICE: 1MDC 33 REMARK 4 DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. 1MDC 34 REMARK 4 1MDC 35 REMARK 4 SWISS-PROT ENTRY NAME: FAB2_MANSE 1MDC 36 REMARK 4 1MDC 37 REMARK 4 SWISS-PROT RESIDUE PDB SEQRES 1MDC 38 REMARK 4 NAME NUMBER NAME CHAIN SEQ/INSERT CODE 1MDC 39 REMARK 4 ILE 50 ASN 50 1MDC 40 REMARK 4 ILE 55 GLY 55 1MDC 41 REMARK 4 GLU 58 ALA 58 1MDC 42 REMARK 4 ARG 59 LYS 59 1MDC 43 REMARK 4 GLU 77 ASP 77 1MDC 44 REMARK 4 1MDC 45 REMARK 4 THE AMINO ACID SEQUENCE USED IN THE ENTRY IS CONSISTENT 1MDC 46 REMARK 4 WITH THE OBSERVED DENSITY. A COMPLETE DISCUSSION IS 1MDC 47 REMARK 4 PROVIDED IN THE ARTICLE CITED ON *JRNL* RECORDS ABOVE. 1MDC 48 REMARK 5 1MDC 49 REMARK 5 THE SHEET PRESENTED AS *S1* ON SHEET RECORDS BELOW IS 1MDC 50 REMARK 5 ACTUALLY A TEN-STRANDED BETA-BARREL. THIS IS REPRESENTED 1MDC 51 REMARK 5 BY AN ELEVEN-STRANDED SHEET IN WHICH THE FIRST AND LAST 1MDC 52 REMARK 5 STRANDS ARE IDENTICAL. 1MDC 53 REMARK 6 1MDCA 2 REMARK 6 CORRECTION. REVISE ATOM NAMING AND ORDERING FOR HET GROUP 1MDCA 3 REMARK 6 PLM TO MATCH PDB SPECIFICATIONS. 30-APR-94. 1MDCA 4 SEQRES 1 132 ACE SER TYR LEU GLY LYS VAL TYR SER LEU VAL LYS GLN 1MDC 54 SEQRES 2 132 GLU ASN PHE ASP GLY PHE LEU LYS SER ALA GLY LEU SER 1MDC 55 SEQRES 3 132 ASP ASP LYS ILE GLN ALA LEU VAL SER ASP LYS PRO THR 1MDC 56 SEQRES 4 132 GLN LYS MET GLU ALA ASN GLY ASP SER TYR SER ASN THR 1MDC 57 SEQRES 5 132 SER THR GLY GLY GLY GLY ALA LYS THR VAL SER PHE LYS 1MDC 58 SEQRES 6 132 SER GLY VAL GLU PHE ASP ASP VAL ILE GLY ALA GLY ASP 1MDC 59 SEQRES 7 132 SER VAL LYS SER MET TYR THR VAL ASP GLY ASN VAL VAL 1MDC 60 SEQRES 8 132 THR HIS VAL VAL LYS GLY ASP ALA GLY VAL ALA THR PHE 1MDC 61 SEQRES 9 132 LYS LYS GLU TYR ASN GLY ASP ASP LEU VAL VAL THR ILE 1MDC 62 SEQRES 10 132 THR SER SER ASN TRP ASP GLY VAL ALA ARG ARG TYR TYR 1MDC 63 SEQRES 11 132 LYS ALA 1MDC 64 HET PLM 133 18 PALMITIC ACID 1MDCA 5 HET SO4 200 5 SULFATE 1MDC 66 FORMUL 2 PLM C16 H32 O2 1MDCA 6 FORMUL 3 SO4 O4 S1 1MDC 68 FORMUL 4 HOH *70(H2 O1) 1MDC 69 HELIX 1 PHE 15 ALA 22 1 1MDC 70 HELIX 2 ASP 26 SER 34 1 1MDC 71 SHEET 1 S1 11 TYR 7 GLU 13 0 1MDC 72 SHEET 2 S1 11 PRO 37 ALA 43 -1 1MDC 73 SHEET 3 S1 11 TYR 48 THR 53 -1 1MDC 74 SHEET 4 S1 11 ALA 58 PHE 63 -1 1MDC 75 SHEET 5 S1 11 GLU 68 VAL 72 -1 1MDC 76 SHEET 6 S1 11 ASP 77 VAL 85 -1 1MDC 77 SHEET 7 S1 11 VAL 90 LYS 95 -1 1MDC 78 SHEET 8 S1 11 VAL 100 TYR 107 -1 1MDC 79 SHEET 9 S1 11 LEU 112 THR 117 -1 1MDC 80 SHEET 10 S1 11 VAL 124 ALA 131 -1 1MDC 81 SHEET 11 S1 11 TYR 7 GLU 13 -1 1MDC 82 TURN 1 T1 TYR 2 LYS 5 TYPE II 1MDC 83 TURN 2 T2 ASN 44 SER 47 APPROXIMATE TYPE II' 1MDC 84 TURN 3 T3 GLY 54 GLY 57 TYPE II 1MDC 85 TURN 4 T4 LYS 64 VAL 67 TYPE II 1MDC 86 TURN 5 T5 ILE 73 GLY 76 APPROXIMATE TYPE II' 1MDC 87 TURN 6 T6 ASP 86 VAL 89 TYPE II' 1MDC 88 TURN 7 T7 GLY 96 GLY 99 TYPE III 1MDC 89 TURN 8 T8 ASN 108 ASP 111 TYPE II' 1MDC 90 TURN 9 T9 SER 118 TRP 121 TYPE I ' 1MDC 91 CRYST1 27.500 70.800 28.500 90.00 90.50 90.00 P 21 2 1MDC 92 ORIGX1 1.000000 0.000000 0.000000 0.00000 1MDC 93 ORIGX2 0.000000 1.000000 0.000000 0.00000 1MDC 94 ORIGX3 0.000000 0.000000 1.000000 0.00000 1MDC 95 SCALE1 0.036364 0.000000 0.000317 0.00000 1MDC 96 SCALE2 0.000000 0.014124 0.000000 0.00000 1MDC 97 SCALE3 0.000000 0.000000 0.035089 0.00000 1MDC 98