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HEADER HYDROLASE(ENDORIBONUCLEASE) 08-AUG-94 1RCK TITLE THE THREE DIMENSIONAL STRUCTURE OF GUANINE-SPECIFIC RIBONUCLEASE F1 IN TITLE 2 SOLUTION DETERMINED BY NMR SPECTROSCOPY AND DISTANCE GEOMETRY COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE F1; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.27.3; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA FUJIKUROI; SOURCE 3 ORGANISM_TAXID: 5127 KEYWDS HYDROLASE(ENDORIBONUCLEASE) EXPDTA SOLUTION NMR NUMMDL 42 AUTHOR T.NAKAI,W.YOSHIKAWA,H.NAKAMURA,H.YOSHIDA REVDAT 5 25-DEC-19 1RCK 1 SEQADV SEQRES LINK REVDAT 4 29-NOV-17 1RCK 1 REMARK HELIX REVDAT 3 24-FEB-09 1RCK 1 VERSN REVDAT 2 01-APR-03 1RCK 1 JRNL REVDAT 1 30-NOV-94 1RCK 0 JRNL AUTH T.NAKAI,W.YOSHIKAWA,H.NAKAMURA,H.YOSHIDA JRNL TITL THE THREE-DIMENSIONAL STRUCTURE OF GUANINE-SPECIFIC JRNL TITL 2 RIBONUCLEASE F1 IN SOLUTION DETERMINED BY NMR SPECTROSCOPY JRNL TITL 3 AND DISTANCE GEOMETRY. JRNL REF EUR.J.BIOCHEM. V. 208 41 1992 JRNL REFN ISSN 0014-2956 JRNL PMID 1511688 JRNL DOI 10.1111/J.1432-1033.1992.TB17157.X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.NAKAI REMARK 1 TITL ACCURATE DETERMINATION OF PROTEIN CONFORMATIONS BY NUCLEAR REMARK 1 TITL 2 MAGNETIC RESONANCE SPECTROSCOPY AND DISTANCE GEOMETRY AND REMARK 1 TITL 3 ANALYSIS OF THEIR STRUCTURAL FEATURES REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH D.G.VASSYLYEV,K.KATAYANAGI,K.ISHIKAWA,M.TSUJIMOTO-HIRANO, REMARK 1 AUTH 2 M.DANNO,A.PAHLER,O.MATSUMOTO,M.MATSUSHIMA,H.YOSHIDA, REMARK 1 AUTH 3 K.MORIKAWA REMARK 1 TITL CRYSTAL STRUCTURES OF RIBONUCLEASE F1 OF FUSARIUM REMARK 1 TITL 2 MONILIFORME IN ITS FREE FORM AND IN COMPLEX WITH 2'GMP REMARK 1 REF J.MOL.BIOL. V. 230 979 1993 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : EMBOSS, PRESTO REMARK 3 AUTHORS : NAKAI,KIDERA,NAKAMURA (EMBOSS), REMARK 3 MORIKAMI,NAKAI,KIDERA,SAITO,NAKAMURA (PRESTO) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RCK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000176018. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 42 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RCL RELATED DB: PDB DBREF 1RCK A 2 106 UNP P10282 RNF1_GIBFU 2 106 SEQADV 1RCK THR A 32 UNP P10282 SER 32 CONFLICT SEQADV 1RCK SER A 36 UNP P10282 THR 36 CONFLICT SEQRES 1 A 106 PCA SER ALA THR THR CYS GLY SER THR ASN TYR SER ALA SEQRES 2 A 106 SER GLN VAL ARG ALA ALA ALA ASN ALA ALA CYS GLN TYR SEQRES 3 A 106 TYR GLN ASN ASP ASP THR ALA GLY SER SER THR TYR PRO SEQRES 4 A 106 HIS THR TYR ASN ASN TYR GLU GLY PHE ASP PHE PRO VAL SEQRES 5 A 106 ASP GLY PRO TYR GLN GLU PHE PRO ILE LYS SER GLY GLY SEQRES 6 A 106 VAL TYR THR GLY GLY SER PRO GLY ALA ASP ARG VAL VAL SEQRES 7 A 106 ILE ASN THR ASN CYS GLU TYR ALA GLY ALA ILE THR HIS SEQRES 8 A 106 THR GLY ALA SER GLY ASN ASN PHE VAL GLY CYS SER GLY SEQRES 9 A 106 THR ASN MODRES 1RCK PCA A 1 GLN PYROGLUTAMIC ACID HET PCA A 1 14 HETNAM PCA PYROGLUTAMIC ACID FORMUL 1 PCA C5 H7 N O3 HELIX 1 H1 ALA A 13 ASN A 29 1 17 SHEET 1 S1 2 THR A 4 CYS A 6 0 SHEET 2 S1 2 THR A 9 TYR A 11 -1 O TYR A 11 N THR A 4 SHEET 1 S2 5 PRO A 39 TYR A 42 0 SHEET 2 S2 5 TYR A 56 ILE A 61 -1 O TYR A 56 N TYR A 42 SHEET 3 S2 5 ASP A 75 ASN A 80 -1 O ILE A 79 N GLN A 57 SHEET 4 S2 5 GLU A 84 HIS A 91 -1 O ILE A 89 N ARG A 76 SHEET 5 S2 5 PHE A 99 CYS A 102 -1 O CYS A 102 N ALA A 88 SSBOND 1 CYS A 6 CYS A 102 1555 1555 2.05 SSBOND 2 CYS A 24 CYS A 83 1555 1555 2.04 LINK C PCA A 1 N SER A 2 1555 1555 1.34 CISPEP 1 TYR A 38 PRO A 39 1 -0.18 CISPEP 2 GLY A 54 PRO A 55 1 -1.54 CISPEP 3 SER A 71 PRO A 72 1 5.70 CISPEP 4 TYR A 38 PRO A 39 2 -0.95 CISPEP 5 GLY A 54 PRO A 55 2 -0.35 CISPEP 6 TYR A 38 PRO A 39 3 2.76 CISPEP 7 GLY A 54 PRO A 55 3 -0.49 CISPEP 8 SER A 71 PRO A 72 3 4.60 CISPEP 9 TYR A 38 PRO A 39 4 3.84 CISPEP 10 GLY A 54 PRO A 55 4 -0.24 CISPEP 11 TYR A 38 PRO A 39 5 2.96 CISPEP 12 GLY A 54 PRO A 55 5 -0.22 CISPEP 13 TYR A 38 PRO A 39 6 1.94 CISPEP 14 GLY A 54 PRO A 55 6 -2.08 CISPEP 15 TYR A 38 PRO A 39 7 0.63 CISPEP 16 GLY A 54 PRO A 55 7 -0.30 CISPEP 17 TYR A 38 PRO A 39 8 1.75 CISPEP 18 GLY A 54 PRO A 55 8 -0.69 CISPEP 19 SER A 71 PRO A 72 8 -5.22 CISPEP 20 TYR A 38 PRO A 39 9 -0.59 CISPEP 21 GLY A 54 PRO A 55 9 -0.47 CISPEP 22 TYR A 38 PRO A 39 10 -0.04 CISPEP 23 GLY A 54 PRO A 55 10 -1.97 CISPEP 24 TYR A 38 PRO A 39 11 1.92 CISPEP 25 GLY A 54 PRO A 55 11 -0.63 CISPEP 26 TYR A 38 PRO A 39 12 -5.64 CISPEP 27 GLY A 54 PRO A 55 12 -0.01 CISPEP 28 TYR A 38 PRO A 39 13 0.53 CISPEP 29 GLY A 54 PRO A 55 13 -0.34 CISPEP 30 TYR A 38 PRO A 39 14 1.52 CISPEP 31 GLY A 54 PRO A 55 14 0.06 CISPEP 32 TYR A 38 PRO A 39 15 0.66 CISPEP 33 GLY A 54 PRO A 55 15 -0.47 CISPEP 34 TYR A 38 PRO A 39 16 2.14 CISPEP 35 GLY A 54 PRO A 55 16 -0.30 CISPEP 36 SER A 71 PRO A 72 16 0.54 CISPEP 37 TYR A 38 PRO A 39 17 -2.57 CISPEP 38 GLY A 54 PRO A 55 17 0.36 CISPEP 39 TYR A 38 PRO A 39 18 0.31 CISPEP 40 GLY A 54 PRO A 55 18 0.19 CISPEP 41 SER A 71 PRO A 72 18 -8.69 CISPEP 42 TYR A 38 PRO A 39 19 0.87 CISPEP 43 GLY A 54 PRO A 55 19 1.29 CISPEP 44 TYR A 38 PRO A 39 20 3.57 CISPEP 45 GLY A 54 PRO A 55 20 1.86 CISPEP 46 TYR A 38 PRO A 39 21 2.60 CISPEP 47 GLY A 54 PRO A 55 21 -1.35 CISPEP 48 SER A 71 PRO A 72 21 -3.43 CISPEP 49 TYR A 38 PRO A 39 22 -2.41 CISPEP 50 GLY A 54 PRO A 55 22 1.03 CISPEP 51 SER A 71 PRO A 72 22 -0.91 CISPEP 52 TYR A 38 PRO A 39 23 0.00 CISPEP 53 GLY A 54 PRO A 55 23 -0.72 CISPEP 54 TYR A 38 PRO A 39 24 2.48 CISPEP 55 GLY A 54 PRO A 55 24 -0.15 CISPEP 56 TYR A 38 PRO A 39 25 2.31 CISPEP 57 GLY A 54 PRO A 55 25 0.95 CISPEP 58 SER A 71 PRO A 72 25 4.98 CISPEP 59 TYR A 38 PRO A 39 26 -2.75 CISPEP 60 GLY A 54 PRO A 55 26 -1.10 CISPEP 61 TYR A 38 PRO A 39 27 0.05 CISPEP 62 GLY A 54 PRO A 55 27 -1.81 CISPEP 63 TYR A 38 PRO A 39 28 0.22 CISPEP 64 GLY A 54 PRO A 55 28 -2.79 CISPEP 65 TYR A 38 PRO A 39 29 -0.09 CISPEP 66 GLY A 54 PRO A 55 29 1.24 CISPEP 67 TYR A 38 PRO A 39 30 2.87 CISPEP 68 GLY A 54 PRO A 55 30 0.14 CISPEP 69 SER A 71 PRO A 72 30 -5.20 CISPEP 70 TYR A 38 PRO A 39 31 3.86 CISPEP 71 GLY A 54 PRO A 55 31 -1.78 CISPEP 72 SER A 71 PRO A 72 31 -4.13 CISPEP 73 TYR A 38 PRO A 39 32 2.92 CISPEP 74 GLY A 54 PRO A 55 32 1.55 CISPEP 75 SER A 71 PRO A 72 32 -6.20 CISPEP 76 TYR A 38 PRO A 39 33 2.65 CISPEP 77 GLY A 54 PRO A 55 33 -2.25 CISPEP 78 TYR A 38 PRO A 39 34 3.55 CISPEP 79 GLY A 54 PRO A 55 34 -0.29 CISPEP 80 SER A 71 PRO A 72 34 1.90 CISPEP 81 TYR A 38 PRO A 39 35 -1.53 CISPEP 82 GLY A 54 PRO A 55 35 -1.50 CISPEP 83 TYR A 38 PRO A 39 36 3.00 CISPEP 84 GLY A 54 PRO A 55 36 0.76 CISPEP 85 TYR A 38 PRO A 39 37 1.90 CISPEP 86 GLY A 54 PRO A 55 37 -0.17 CISPEP 87 TYR A 38 PRO A 39 38 3.89 CISPEP 88 GLY A 54 PRO A 55 38 -1.50 CISPEP 89 TYR A 38 PRO A 39 39 1.93 CISPEP 90 GLY A 54 PRO A 55 39 -0.63 CISPEP 91 TYR A 38 PRO A 39 40 -1.43 CISPEP 92 GLY A 54 PRO A 55 40 -0.36 CISPEP 93 SER A 71 PRO A 72 40 -2.50 CISPEP 94 TYR A 38 PRO A 39 41 -1.72 CISPEP 95 GLY A 54 PRO A 55 41 0.13 CISPEP 96 SER A 71 PRO A 72 41 0.13 CISPEP 97 TYR A 38 PRO A 39 42 0.11 CISPEP 98 GLY A 54 PRO A 55 42 0.08 SITE 1 CAT 4 HIS A 40 GLU A 58 ARG A 76 HIS A 91 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1
Complete list - c 25 2 Bytes