Header list of 2grg.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-APR-06 2GRG TITLE SOLUTION NMR STRUCTURE OF PROTEIN YNR034W-A FROM SACCHAROMYCES TITLE 2 CEREVISIAE. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET YT727; TITLE 3 ONTARIO CENTER FOR STRUCTURAL PROTEOMICS TARGET YST6499. COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; YNR034W-AP; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3 GOLD); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: P11 KEYWDS HELIX/BETA STRAND PROTEIN, STRUCTURAL GENOMICS, PSI, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, KEYWDS 3 NESG, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR B.WU,A.YEE,T.RAMELOT,A.LEMAK,A.SEMESI,M.KENNEDY,A.EDWARD, AUTHOR 2 C.H.ARROWSMITH,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 3 09-MAR-22 2GRG 1 REMARK SEQADV REVDAT 2 24-FEB-09 2GRG 1 VERSN REVDAT 1 23-MAY-06 2GRG 0 JRNL AUTH B.WU,A.YEE,T.RAMELOT,A.LEMAK,A.SEMESI,M.KENNEDY,A.EDWARD, JRNL AUTH 2 C.H.ARROWSMITH JRNL TITL SOLUTION STRUCTURE OF HYPOTHETICAL PROTEIN YST6499 FROM JRNL TITL 2 SACCHAROMYCES CEREVISIAE/ NORTHEAST STRUCTURAL GENOMICS JRNL TITL 3 CONSORTIUM TARGET YT727/ ONTARIO CENTER FOR STRUCTURAL JRNL TITL 4 PROTEOMICS TARGET YST6499 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE 2.3, CNS 1.0 REMARK 3 AUTHORS : DELAGLIO, F. (NMRPIPE), BRUNGER, A.T. ET AL (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 2890 NOE-DERIVED DISTANCE RESTRAINTS REMARK 3 AND 110 TORSION ANGLE RESTRAINTS REMARK 4 REMARK 4 2GRG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-APR-06. REMARK 100 THE DEPOSITION ID IS D_1000037464. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.1 REMARK 210 IONIC STRENGTH : 250 MM NACL, 10 MM TRIS REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM YST6499, U-15N,13C; 250 MM REMARK 210 NACL, 10 MM TRIS; 1 MM REMARK 210 BENZAMIDINE, 1 X INHIBITOR REMARK 210 COCKTAIL, 0.01% NAN3; 95% H2O, 5% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : SPARKY 3.95, CYANA 2.1 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS AND REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 MODELS 1-20 REMARK 465 RES C SSSEQI REMARK 465 MET A -21 REMARK 465 GLY A -20 REMARK 465 SER A -19 REMARK 465 SER A -18 REMARK 465 HIS A -17 REMARK 465 HIS A -16 REMARK 465 HIS A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 SER A -11 REMARK 465 SER A -10 REMARK 465 GLY A -9 REMARK 465 ARG A -8 REMARK 465 GLU A -7 REMARK 465 ASN A -6 REMARK 465 LEU A -5 REMARK 465 TYR A -4 REMARK 465 PHE A -3 REMARK 465 GLN A -2 REMARK 465 GLY A -1 REMARK 465 HIS A 0 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 SER A 3 135.32 69.87 REMARK 500 1 ALA A 73 89.90 -64.13 REMARK 500 1 ARG A 87 73.81 55.64 REMARK 500 1 ILE A 96 34.40 -88.80 REMARK 500 1 THR A 97 97.81 -69.60 REMARK 500 2 SER A 39 -172.53 56.85 REMARK 500 2 PRO A 40 40.48 -72.66 REMARK 500 2 ARG A 54 -45.19 -163.55 REMARK 500 2 ALA A 73 94.91 -64.51 REMARK 500 2 ASN A 86 -85.02 64.00 REMARK 500 2 ARG A 87 -47.80 164.08 REMARK 500 3 PRO A 40 61.30 -63.61 REMARK 500 3 ALA A 73 97.49 -67.47 REMARK 500 3 ARG A 87 -70.61 -43.81 REMARK 500 3 GLU A 88 35.03 -98.79 REMARK 500 4 PRO A 40 44.65 -67.66 REMARK 500 4 ALA A 73 89.98 -63.52 REMARK 500 4 LYS A 85 -81.67 -102.21 REMARK 500 4 ARG A 87 -78.05 -138.77 REMARK 500 4 THR A 97 132.14 -176.80 REMARK 500 5 PRO A 40 58.66 -65.67 REMARK 500 5 ALA A 73 98.80 -66.71 REMARK 500 5 LYS A 83 105.31 -45.38 REMARK 500 5 ARG A 87 32.24 -87.81 REMARK 500 5 GLU A 88 -85.78 66.15 REMARK 500 6 PRO A 40 54.08 -68.22 REMARK 500 6 ALA A 73 95.47 -63.45 REMARK 500 6 ASN A 86 159.32 72.78 REMARK 500 6 GLU A 88 145.06 -170.69 REMARK 500 6 THR A 97 -43.07 171.81 REMARK 500 7 SER A 39 -178.89 60.89 REMARK 500 7 PRO A 40 44.36 -75.05 REMARK 500 7 ALA A 73 97.95 -67.55 REMARK 500 7 LYS A 83 29.63 49.95 REMARK 500 7 ASN A 84 48.92 -86.20 REMARK 500 7 ARG A 87 -68.16 -132.70 REMARK 500 7 GLU A 88 -143.42 -137.65 REMARK 500 7 THR A 97 106.35 67.14 REMARK 500 8 LYS A 2 110.08 66.56 REMARK 500 8 PRO A 40 49.57 -65.58 REMARK 500 8 ALA A 73 93.86 -66.12 REMARK 500 8 LYS A 85 -50.73 -124.95 REMARK 500 8 ARG A 87 -66.27 -142.64 REMARK 500 8 ILE A 96 95.74 65.82 REMARK 500 8 THR A 97 70.67 53.54 REMARK 500 9 PRO A 40 55.96 -68.88 REMARK 500 9 ALA A 73 91.85 -66.13 REMARK 500 9 PRO A 82 48.76 -72.71 REMARK 500 9 LYS A 83 98.73 63.86 REMARK 500 9 ASN A 86 101.75 66.66 REMARK 500 REMARK 500 THIS ENTRY HAS 119 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: YST6499 RELATED DB: TARGETDB REMARK 900 RELATED ID: YT727 RELATED DB: TARGETDB DBREF 2GRG A 1 98 GB 9755343 NP_061494 1 98 SEQADV 2GRG MET A -21 GB 9755343 CLONING ARTIFACT SEQADV 2GRG GLY A -20 GB 9755343 CLONING ARTIFACT SEQADV 2GRG SER A -19 GB 9755343 CLONING ARTIFACT SEQADV 2GRG SER A -18 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -17 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -16 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -15 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -14 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -13 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A -12 GB 9755343 CLONING ARTIFACT SEQADV 2GRG SER A -11 GB 9755343 CLONING ARTIFACT SEQADV 2GRG SER A -10 GB 9755343 CLONING ARTIFACT SEQADV 2GRG GLY A -9 GB 9755343 CLONING ARTIFACT SEQADV 2GRG ARG A -8 GB 9755343 CLONING ARTIFACT SEQADV 2GRG GLU A -7 GB 9755343 CLONING ARTIFACT SEQADV 2GRG ASN A -6 GB 9755343 CLONING ARTIFACT SEQADV 2GRG LEU A -5 GB 9755343 CLONING ARTIFACT SEQADV 2GRG TYR A -4 GB 9755343 CLONING ARTIFACT SEQADV 2GRG PHE A -3 GB 9755343 CLONING ARTIFACT SEQADV 2GRG GLN A -2 GB 9755343 CLONING ARTIFACT SEQADV 2GRG GLY A -1 GB 9755343 CLONING ARTIFACT SEQADV 2GRG HIS A 0 GB 9755343 CLONING ARTIFACT SEQRES 1 A 120 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 120 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET LYS SER SER SEQRES 3 A 120 ILE PRO ILE THR GLU VAL LEU PRO ARG ALA VAL GLY SER SEQRES 4 A 120 LEU THR PHE ASP GLU ASN TYR ASN LEU LEU ASP THR SER SEQRES 5 A 120 GLY VAL ALA LYS VAL ILE GLU LYS SER PRO ILE ALA GLU SEQRES 6 A 120 ILE ILE ARG LYS SER ASN ALA GLU LEU GLY ARG LEU GLY SEQRES 7 A 120 TYR SER VAL TYR GLU ASP ALA GLN TYR ILE GLY HIS ALA SEQRES 8 A 120 PHE LYS LYS ALA GLY HIS PHE ILE VAL TYR PHE THR PRO SEQRES 9 A 120 LYS ASN LYS ASN ARG GLU GLY VAL VAL PRO PRO VAL GLY SEQRES 10 A 120 ILE THR ASN HELIX 1 1 ILE A 7 ALA A 14 1 8 HELIX 2 2 ALA A 33 VAL A 35 5 3 HELIX 3 3 PRO A 40 LEU A 52 1 13 SHEET 1 A 6 ILE A 5 PRO A 6 0 SHEET 2 A 6 LEU A 55 GLU A 61 -1 O GLY A 56 N ILE A 5 SHEET 3 A 6 ILE A 66 LYS A 72 -1 O GLY A 67 N TYR A 60 SHEET 4 A 6 HIS A 75 THR A 81 -1 O THR A 81 N ILE A 66 SHEET 5 A 6 GLY A 16 PHE A 20 -1 N PHE A 20 O PHE A 76 SHEET 6 A 6 LEU A 26 GLY A 31 -1 O LEU A 27 N THR A 19 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 - r 9 2 Bytes