Header list of 1sg5.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, TRANSCRIPTION, PROT23-FEB-04 1SG5 TITLE SOLUTION STRUCTURE OF YAEO, A RHO-SPECIFIC INHIBITOR OF TRANSCRIPTION TITLE 2 TERMINATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: ORF, HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YAEO; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS A+B PROTEIN, MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS KEYWDS 2 INITIATIVE, BSGI, STRUCTURAL GENOMICS, TRANSCRIPTION, PROTEIN KEYWDS 3 BINDING EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR P.GUTIERREZ,K.GEHRING,MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS AUTHOR 2 INITIATIVE (BSGI) REVDAT 4 02-MAR-22 1SG5 1 REMARK SEQADV REVDAT 3 24-FEB-09 1SG5 1 VERSN REVDAT 2 28-AUG-07 1SG5 1 JRNL REVDAT 1 12-JUL-05 1SG5 0 JRNL AUTH P.GUTIERREZ,G.KOZLOV,L.GABRIELLI,D.ELIAS,M.J.OSBORNE, JRNL AUTH 2 I.E.GALLOUZI,K.GEHRING JRNL TITL SOLUTION STRUCTURE OF YAEO, A RHO-SPECIFIC INHIBITOR OF JRNL TITL 2 TRANSCRIPTION TERMINATION JRNL REF J.BIOL.CHEM. V. 282 23348 2007 JRNL REFN ISSN 0021-9258 JRNL PMID 17565995 JRNL DOI 10.1074/JBC.M702010200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.5, CNS 1.1 REMARK 3 AUTHORS : BRUKER BIOSPIN (XWINNMR), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1SG5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-FEB-04. REMARK 100 THE DEPOSITION ID IS D_1000021683. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM YAEO, 150MM PHOPHATE BUFFER, REMARK 210 2.0MM DTT; 0.1 MM NAN3,90% H2O, REMARK 210 10% D2O; 2MM YAEO,U-15N, 150MM REMARK 210 PHOPHATE BUFFER, 2.0MM DTT; 0.1 REMARK 210 MM NAN3, 90% H2O, 10% D2O; 2MM REMARK 210 YAEO,U-15N, 13C, 150MM PHOPHATE REMARK 210 BUFFER, 2.0MM DTT; 0.1 MM NAN3, REMARK 210 90% H2O, 10% D2O; 2MM YAEO, REMARK 210 150MM PHOPHATE BUFFER, 2.0MM DTT; REMARK 210 0.1 MM NAN3, 100% D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XEASY 1.3.13, ARIA 1.1, XWINNMR REMARK 210 2.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH FAVORABLE NON REMARK 210 -BOND ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURE DETERMINED USING STANDAR TRIPLE RESONANCE AND REMARK 210 HOMONUCLEAR TECHNIQUES 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 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 THR A 6 32.26 -158.01 REMARK 500 1 ILE A 10 -74.95 -160.62 REMARK 500 1 LEU A 26 -56.05 80.28 REMARK 500 1 ASP A 34 30.86 -76.02 REMARK 500 1 ALA A 42 148.22 60.53 REMARK 500 1 SER A 43 150.12 176.04 REMARK 500 1 VAL A 51 -151.16 -148.27 REMARK 500 1 ALA A 59 -76.83 62.95 REMARK 500 1 ARG A 66 -5.05 102.44 REMARK 500 1 LYS A 69 68.90 60.36 REMARK 500 1 THR A 71 -61.77 -28.03 REMARK 500 1 ILE A 78 -68.66 -121.26 REMARK 500 1 VAL A 83 66.00 14.48 REMARK 500 1 SER A 84 143.09 69.71 REMARK 500 2 ASN A 4 38.22 -177.04 REMARK 500 2 ASP A 5 78.17 -158.80 REMARK 500 2 THR A 6 34.20 -168.85 REMARK 500 2 ILE A 10 -68.91 -178.84 REMARK 500 2 LEU A 26 -54.37 75.15 REMARK 500 2 ASP A 34 31.24 -77.38 REMARK 500 2 ALA A 42 -179.62 58.94 REMARK 500 2 SER A 43 152.24 140.05 REMARK 500 2 VAL A 51 -151.68 -149.30 REMARK 500 2 ALA A 59 -64.36 69.45 REMARK 500 2 ARG A 66 -8.08 99.81 REMARK 500 2 LYS A 69 71.89 58.53 REMARK 500 2 THR A 71 -61.10 -28.78 REMARK 500 2 ILE A 78 -68.31 -121.28 REMARK 500 2 VAL A 83 72.86 11.16 REMARK 500 2 SER A 84 141.68 63.62 REMARK 500 3 MET A 3 -67.63 68.84 REMARK 500 3 THR A 6 41.29 -158.37 REMARK 500 3 ILE A 10 -63.87 174.84 REMARK 500 3 CYS A 12 -169.39 -100.25 REMARK 500 3 LEU A 26 -53.54 78.49 REMARK 500 3 LYS A 33 -36.84 -32.27 REMARK 500 3 ALA A 42 145.99 56.68 REMARK 500 3 SER A 43 158.20 173.04 REMARK 500 3 VAL A 51 -105.38 -155.73 REMARK 500 3 GLU A 52 144.51 167.31 REMARK 500 3 ALA A 59 -0.12 72.86 REMARK 500 3 ARG A 66 -8.96 101.88 REMARK 500 3 LYS A 69 70.53 58.96 REMARK 500 3 THR A 71 -64.07 -24.48 REMARK 500 3 ILE A 78 -66.44 -121.14 REMARK 500 3 VAL A 83 110.00 3.12 REMARK 500 3 SER A 84 114.33 62.99 REMARK 500 4 THR A 6 56.03 -150.05 REMARK 500 4 ILE A 10 -68.94 -170.42 REMARK 500 4 LEU A 26 -55.34 80.94 REMARK 500 REMARK 500 THIS ENTRY HAS 321 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: ROF_ECOLI RELATED DB: TARGETDB DBREF 1SG5 A 3 86 UNP P0AFW8 ROF_ECOLI 1 84 SEQADV 1SG5 MET A 1 UNP P0AFW8 INSERTION SEQADV 1SG5 SER A 2 UNP P0AFW8 INSERTION SEQRES 1 A 86 MET SER MET ASN ASP THR TYR GLN PRO ILE ASN CYS ASP SEQRES 2 A 86 ASP TYR ASP ASN LEU GLU LEU ALA CYS GLN HIS HIS LEU SEQRES 3 A 86 MET LEU THR LEU GLU LEU LYS ASP GLY GLU LYS LEU GLN SEQRES 4 A 86 ALA LYS ALA SER ASP LEU VAL SER ARG LYS ASN VAL GLU SEQRES 5 A 86 TYR LEU VAL VAL GLU ALA ALA GLY GLU THR ARG GLU LEU SEQRES 6 A 86 ARG LEU ASP LYS ILE THR SER PHE SER HIS PRO GLU ILE SEQRES 7 A 86 GLY THR VAL VAL VAL SER GLU SER HELIX 1 1 ASP A 14 GLN A 23 1 10 SHEET 1 A 4 LEU A 38 ALA A 40 0 SHEET 2 A 4 LEU A 28 GLU A 31 -1 N LEU A 30 O LEU A 38 SHEET 3 A 4 SER A 72 HIS A 75 -1 O SER A 72 N GLU A 31 SHEET 4 A 4 GLY A 79 VAL A 81 -1 O VAL A 81 N PHE A 73 SHEET 1 B 3 ASP A 44 VAL A 46 0 SHEET 2 B 3 TYR A 53 ALA A 58 -1 O TYR A 53 N VAL A 46 SHEET 3 B 3 GLU A 61 LEU A 65 -1 O GLU A 61 N ALA A 58 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