Header list of 1ey1.pdb file
Complete list - t 19 2 Bytes
HEADER TRANSCRIPTION 05-MAY-00 1EY1 TITLE SOLUTION STRUCTURE OF ESCHERICHIA COLI NUSB COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTITERMINATION FACTOR NUSB; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: N UTILIZATION SUBSTANCE PROTEIN B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562 KEYWDS TRANSCIRPTION TERMINATION, TRANSCRIPTION EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR A.S.ALTIERI,M.J.MAZZULLA,D.A.HORITA,R.H.COATS,P.T.WINGFIELD,R.A.BYRD REVDAT 5 15-JUN-22 1EY1 1 AUTHOR REVDAT 4 16-FEB-22 1EY1 1 REMARK REVDAT 3 24-FEB-09 1EY1 1 VERSN REVDAT 2 01-APR-03 1EY1 1 JRNL REVDAT 1 14-JUN-00 1EY1 0 JRNL AUTH A.S.ALTIERI,M.J.MAZZULLA,D.A.HORITA,R.H.COATS,P.T.WINGFIELD, JRNL AUTH 2 A.DAS,D.L.COURT,R.A.BYRD JRNL TITL THE STRUCTURE OF THE TRANSCRIPTIONAL ANTITERMINATOR NUSB JRNL TITL 2 FROM ESCHERICHIA COLI. JRNL REF NAT.STRUCT.BIOL. V. 7 470 2000 JRNL REFN ISSN 1072-8368 JRNL PMID 10881193 JRNL DOI 10.1038/75869 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EY1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAY-00. REMARK 100 THE DEPOSITION ID IS D_1000011010. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : .1 M NACL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY 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 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 O GLY A 78 H LYS A 82 1.49 REMARK 500 HZ2 LYS A 101 OD1 ASP A 128 1.52 REMARK 500 O SER A 19 H SER A 23 1.58 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 ARG A 7 105.78 72.83 REMARK 500 1 ALA A 9 -73.96 -13.13 REMARK 500 1 ARG A 10 -72.12 -33.90 REMARK 500 1 ASN A 25 -159.61 -55.02 REMARK 500 1 ASP A 26 -96.26 -41.93 REMARK 500 1 ILE A 27 -65.00 154.90 REMARK 500 1 ASP A 39 93.20 37.21 REMARK 500 1 ASP A 42 91.82 45.39 REMARK 500 1 ASN A 58 27.43 -146.03 REMARK 500 1 SER A 71 48.89 76.93 REMARK 500 1 ARG A 72 -58.92 72.14 REMARK 500 1 ARG A 95 100.41 -46.75 REMARK 500 1 ASP A 97 29.49 -157.23 REMARK 500 1 PRO A 99 -166.94 -61.72 REMARK 500 1 ALA A 107 -71.90 -41.47 REMARK 500 1 GLU A 117 -153.61 -96.54 REMARK 500 1 ASP A 118 -72.91 63.34 REMARK 500 1 SER A 119 56.91 -95.71 REMARK 500 1 PRO A 132 48.49 -74.47 REMARK 500 1 VAL A 133 -59.76 -135.07 REMARK 500 1 PRO A 136 45.75 -78.88 REMARK 500 1 LYS A 138 71.36 36.57 REMARK 500 2 LYS A 2 156.13 63.87 REMARK 500 2 ALA A 5 38.72 -176.12 REMARK 500 2 ALA A 9 -74.15 4.80 REMARK 500 2 ARG A 10 -76.91 -32.87 REMARK 500 2 ASP A 26 -38.01 -166.46 REMARK 500 2 ILE A 27 -48.70 90.64 REMARK 500 2 GLU A 37 -92.84 -36.00 REMARK 500 2 GLN A 38 -152.33 -77.63 REMARK 500 2 ASP A 39 -109.80 -60.44 REMARK 500 2 VAL A 40 31.95 34.20 REMARK 500 2 LYS A 41 -44.06 -131.01 REMARK 500 2 ASP A 44 115.21 82.84 REMARK 500 2 VAL A 45 11.40 -143.29 REMARK 500 2 PRO A 68 -35.56 -29.28 REMARK 500 2 ARG A 72 -54.10 77.11 REMARK 500 2 ARG A 95 -174.29 -57.32 REMARK 500 2 SER A 96 -65.27 -133.86 REMARK 500 2 ASP A 97 28.56 -144.29 REMARK 500 2 PRO A 99 -161.85 -62.83 REMARK 500 2 ALA A 107 -75.03 -45.86 REMARK 500 2 SER A 113 -39.47 -155.78 REMARK 500 2 HIS A 120 -67.25 -96.08 REMARK 500 2 PRO A 136 41.43 -81.17 REMARK 500 2 LYS A 138 63.72 -66.51 REMARK 500 3 ALA A 4 63.90 -150.21 REMARK 500 3 ARG A 6 -67.17 -129.88 REMARK 500 3 ARG A 8 -76.21 59.74 REMARK 500 3 ALA A 9 -60.06 -16.43 REMARK 500 REMARK 500 THIS ENTRY HAS 369 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1EY1 A 1 139 UNP P0A780 NUSB_ECOLI 1 139 SEQRES 1 A 139 MET LYS PRO ALA ALA ARG ARG ARG ALA ARG GLU CYS ALA SEQRES 2 A 139 VAL GLN ALA LEU TYR SER TRP GLN LEU SER GLN ASN ASP SEQRES 3 A 139 ILE ALA ASP VAL GLU TYR GLN PHE LEU ALA GLU GLN ASP SEQRES 4 A 139 VAL LYS ASP VAL ASP VAL LEU TYR PHE ARG GLU LEU LEU SEQRES 5 A 139 ALA GLY VAL ALA THR ASN THR ALA TYR LEU ASP GLY LEU SEQRES 6 A 139 MET LYS PRO TYR LEU SER ARG LEU LEU GLU GLU LEU GLY SEQRES 7 A 139 GLN VAL GLU LYS ALA VAL LEU ARG ILE ALA LEU TYR GLU SEQRES 8 A 139 LEU SER LYS ARG SER ASP VAL PRO TYR LYS VAL ALA ILE SEQRES 9 A 139 ASN GLU ALA ILE GLU LEU ALA LYS SER PHE GLY ALA GLU SEQRES 10 A 139 ASP SER HIS LYS PHE VAL ASN GLY VAL LEU ASP LYS ALA SEQRES 11 A 139 ALA PRO VAL ILE ARG PRO ASN LYS LYS HELIX 1 1 ARG A 8 GLN A 24 1 17 HELIX 2 2 ILE A 27 GLU A 37 1 11 HELIX 3 3 VAL A 45 THR A 59 1 15 HELIX 4 4 ASN A 58 LYS A 67 1 10 HELIX 5 5 GLY A 78 LYS A 94 1 17 HELIX 6 6 TYR A 100 ALA A 111 1 12 HELIX 7 7 HIS A 120 ARG A 135 1 16 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 - t 19 2 Bytes