Header list of 1tty.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSCRIPTION 23-JUN-04 1TTY TITLE SOLUTION STRUCTURE OF SIGMA A REGION 4 FROM THERMOTOGA MARITIMA COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR RPOD; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SIGMA-A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 GENE: RPOD, SIGA, TM1451; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-SI; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-30B KEYWDS SIGMA FACTOR, RNA POLYMERASE, HELIX-TURN-HELIX, TRANSCRIPTION EXPDTA SOLUTION NMR NUMMDL 22 AUTHOR L.J.LAMBERT,Y.WEI,V.SCHIRF,B.DEMELER,M.H.WERNER REVDAT 3 02-MAR-22 1TTY 1 REMARK REVDAT 2 24-FEB-09 1TTY 1 VERSN REVDAT 1 23-NOV-04 1TTY 0 JRNL AUTH L.J.LAMBERT,Y.WEI,V.SCHIRF,B.DEMELER,M.H.WERNER JRNL TITL T4 ASIA BLOCKS DNA RECOGNITION BY REMODELING SIGMA(70) JRNL TITL 2 REGION 4 JRNL REF EMBO J. V. 23 2952 2004 JRNL REFN ISSN 0261-4189 JRNL PMID 15257291 JRNL DOI 10.1038/SJ.EMBOJ.7600312 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR-NIH 2.9.3, XPLOR-NIH 2.9.3 REMARK 3 AUTHORS : CLORE AND SCHWEITERS (XPLOR-NIH), CLORE AND REMARK 3 SCHWEITERS (XPLOR-NIH) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TTY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUL-04. REMARK 100 THE DEPOSITION ID IS D_1000022898. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : PHOSPHATE BUFFERED SALINE, PH REMARK 210 7.0, 1 MM PROTEIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.2 REMARK 210 METHOD USED : SIMULATED ANNEALING IN TORSION REMARK 210 ANGLE SPACE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 22 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 MODELS 1-22 REMARK 470 RES CSSEQI ATOMS REMARK 470 GLY A 399 O 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 ARG A 317 -74.71 -155.63 REMARK 500 1 MET A 320 143.23 176.71 REMARK 500 1 ARG A 321 40.23 -157.16 REMARK 500 1 GLU A 322 -65.13 -91.25 REMARK 500 1 PHE A 360 -91.30 -90.64 REMARK 500 1 ASN A 361 27.45 -173.68 REMARK 500 1 ARG A 379 66.27 -69.77 REMARK 500 1 HIS A 380 -64.67 -179.53 REMARK 500 1 SER A 384 43.28 179.05 REMARK 500 1 ASP A 395 30.62 -84.74 REMARK 500 2 ARG A 317 -67.80 -96.11 REMARK 500 2 MET A 320 -78.21 61.93 REMARK 500 2 GLU A 322 -63.64 -98.70 REMARK 500 2 PHE A 360 -92.01 -90.47 REMARK 500 2 ASN A 361 29.11 -177.35 REMARK 500 2 ARG A 379 71.55 43.75 REMARK 500 2 HIS A 380 78.07 -166.05 REMARK 500 2 PRO A 381 102.03 -51.35 REMARK 500 2 SER A 382 -50.45 -179.88 REMARK 500 2 SER A 384 55.68 -150.21 REMARK 500 2 MET A 394 -80.95 -162.11 REMARK 500 2 ASP A 395 41.56 -162.61 REMARK 500 2 ASN A 397 31.20 -149.57 REMARK 500 2 GLU A 398 -48.96 -162.76 REMARK 500 3 MET A 318 167.81 175.19 REMARK 500 3 GLU A 322 -63.91 -97.23 REMARK 500 3 PHE A 360 -88.40 -91.61 REMARK 500 3 ASN A 361 30.39 -175.01 REMARK 500 3 SER A 382 -80.74 179.13 REMARK 500 3 MET A 394 -81.60 -91.11 REMARK 500 3 ASP A 395 22.82 -163.23 REMARK 500 3 ASN A 397 -54.81 -149.96 REMARK 500 4 MET A 318 122.61 60.91 REMARK 500 4 LEU A 319 37.58 -178.10 REMARK 500 4 ARG A 321 104.87 58.85 REMARK 500 4 GLU A 322 -61.76 -96.45 REMARK 500 4 PHE A 360 -92.66 -93.57 REMARK 500 4 ASN A 361 31.95 -178.53 REMARK 500 4 HIS A 380 -66.19 -179.97 REMARK 500 4 SER A 384 60.63 178.74 REMARK 500 5 ALA A 315 93.66 -179.10 REMARK 500 5 ARG A 317 112.67 -176.34 REMARK 500 5 ARG A 321 -176.81 50.45 REMARK 500 5 GLU A 322 -65.15 -97.02 REMARK 500 5 PHE A 360 -88.73 -91.75 REMARK 500 5 ASN A 361 30.02 -174.37 REMARK 500 5 HIS A 380 -59.61 -179.70 REMARK 500 5 MET A 394 -71.43 -86.94 REMARK 500 5 ASP A 395 23.61 -159.64 REMARK 500 5 ASN A 397 -54.97 -151.96 REMARK 500 REMARK 500 THIS ENTRY HAS 187 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1TTY A 313 399 UNP P77994 RPOD_THEMA 313 399 SEQRES 1 A 87 LYS GLU ALA MET ARG MET LEU MET ARG GLU GLU LEU GLU SEQRES 2 A 87 LYS VAL LEU LYS THR LEU SER PRO ARG GLU ALA MET VAL SEQRES 3 A 87 LEU ARG MET ARG TYR GLY LEU LEU ASP GLY LYS PRO LYS SEQRES 4 A 87 THR LEU GLU GLU VAL GLY GLN TYR PHE ASN VAL THR ARG SEQRES 5 A 87 GLU ARG ILE ARG GLN ILE GLU VAL LYS ALA LEU ARG LYS SEQRES 6 A 87 LEU ARG HIS PRO SER ARG SER LYS TYR LEU LYS SER LEU SEQRES 7 A 87 LEU SER LEU MET ASP GLU ASN GLU GLY HELIX 1 1 GLU A 322 LYS A 329 1 8 HELIX 2 2 SER A 332 GLY A 344 1 13 HELIX 3 3 THR A 352 PHE A 360 1 9 HELIX 4 4 THR A 363 ARG A 379 1 17 HELIX 5 5 SER A 384 MET A 394 1 11 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 2 2 Bytes