Header list of 1ssk.pdb file
Complete list - 2 20 Bytes
HEADER STRUCTURAL PROTEIN 24-MAR-04 1SSK TITLE STRUCTURE OF THE N-TERMINAL RNA-BINDING DOMAIN OF THE SARS COV TITLE 2 NUCLEOCAPSID PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEOCAPSID PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN; COMPND 5 SYNONYM: N STRUCTURAL PROTEIN, NC; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; SOURCE 3 ORGANISM_TAXID: 227859; SOURCE 4 STRAIN: SARS; SOURCE 5 GENE: N; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21D+ KEYWDS NUCLEOCAPSID PROTEIN, STRUCTURAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Q.HUANG,L.YU,A.M.PETROS,A.GUNASEKERA,Z.LIU,N.XU,P.HAJDUK,J.MACK, AUTHOR 2 S.W.FESIK,E.T.OLEJNICZAK REVDAT 3 02-MAR-22 1SSK 1 REMARK SEQADV REVDAT 2 24-FEB-09 1SSK 1 VERSN REVDAT 1 08-JUN-04 1SSK 0 JRNL AUTH Q.HUANG,L.YU,A.M.PETROS,A.GUNASEKERA,Z.LIU,N.XU,P.HAJDUK, JRNL AUTH 2 J.MACK,S.W.FESIK,E.T.OLEJNICZAK JRNL TITL STRUCTURE OF THE N-TERMINAL RNA-BINDING DOMAIN OF THE SARS JRNL TITL 2 COV NUCLEOCAPSID PROTEIN. JRNL REF BIOCHEMISTRY V. 43 6059 2004 JRNL REFN ISSN 0006-2960 JRNL PMID 15147189 JRNL DOI 10.1021/BI036155B REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 2000 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1SSK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-MAR-04. REMARK 100 THE DEPOSITION ID IS D_1000021967. 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 : 100MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5 MM N-TERMINAL SARS COV NP, U REMARK 210 -15N,90% H2O/10% 2H2O, 50 MM REMARK 210 SODIUM PHOSPHATE (PH 6.8) AND REMARK 210 100 MM SODIUM CHLORIDE. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 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 SER A 4 94.31 49.54 REMARK 500 HIS A 7 -176.69 -55.68 REMARK 500 HIS A 8 73.70 -67.77 REMARK 500 SER A 11 40.45 73.72 REMARK 500 ARG A 17 105.27 57.96 REMARK 500 MET A 21 -81.14 -59.42 REMARK 500 ASN A 26 36.07 -142.32 REMARK 500 SER A 29 86.16 168.45 REMARK 500 PHE A 31 -179.91 168.58 REMARK 500 ARG A 43 76.78 171.74 REMARK 500 PRO A 45 173.40 -52.40 REMARK 500 ARG A 46 -177.79 -64.10 REMARK 500 GLN A 48 -56.28 -136.09 REMARK 500 PRO A 51 177.75 -48.64 REMARK 500 ASN A 53 179.13 63.08 REMARK 500 ASN A 55 33.83 -152.92 REMARK 500 SER A 56 36.85 -97.76 REMARK 500 ASP A 60 54.14 -150.55 REMARK 500 ARG A 67 106.66 -52.34 REMARK 500 GLU A 81 94.57 63.44 REMARK 500 THR A 93 -54.09 -149.07 REMARK 500 PRO A 95 -149.74 -60.98 REMARK 500 ALA A 97 29.02 47.08 REMARK 500 LEU A 99 166.41 -47.60 REMARK 500 TYR A 101 74.25 61.61 REMARK 500 ALA A 103 80.24 -64.66 REMARK 500 GLU A 114 70.76 -68.40 REMARK 500 ASN A 118 108.14 75.18 REMARK 500 LYS A 121 83.85 169.86 REMARK 500 HIS A 123 42.01 170.38 REMARK 500 PRO A 129 78.45 -59.08 REMARK 500 ASN A 130 -34.32 167.45 REMARK 500 ASN A 131 -70.32 -73.79 REMARK 500 ALA A 133 -163.66 -61.48 REMARK 500 VAL A 136 114.00 47.81 REMARK 500 LEU A 137 167.67 -43.18 REMARK 500 GLN A 138 86.27 -158.11 REMARK 500 PRO A 140 -162.65 -59.39 REMARK 500 THR A 144 -164.65 -57.48 REMARK 500 PRO A 146 -147.88 -59.00 REMARK 500 LYS A 147 -86.71 -46.16 REMARK 500 ALA A 151 165.27 -45.03 REMARK 500 GLU A 152 -36.68 -35.75 REMARK 500 SER A 154 77.22 50.38 REMARK 500 REMARK 500 REMARK: NULL DBREF 1SSK A 22 158 UNP P59595 NCAP_CVHSA 45 181 SEQADV 1SSK MET A 1 UNP P59595 CLONING ARTIFACT SEQADV 1SSK GLY A 2 UNP P59595 CLONING ARTIFACT SEQADV 1SSK SER A 3 UNP P59595 CLONING ARTIFACT SEQADV 1SSK SER A 4 UNP P59595 CLONING ARTIFACT SEQADV 1SSK HIS A 5 UNP P59595 EXPRESSION TAG SEQADV 1SSK HIS A 6 UNP P59595 EXPRESSION TAG SEQADV 1SSK HIS A 7 UNP P59595 EXPRESSION TAG SEQADV 1SSK HIS A 8 UNP P59595 EXPRESSION TAG SEQADV 1SSK HIS A 9 UNP P59595 EXPRESSION TAG SEQADV 1SSK HIS A 10 UNP P59595 EXPRESSION TAG SEQADV 1SSK SER A 11 UNP P59595 CLONING ARTIFACT SEQADV 1SSK SER A 12 UNP P59595 CLONING ARTIFACT SEQADV 1SSK GLY A 13 UNP P59595 CLONING ARTIFACT SEQADV 1SSK LEU A 14 UNP P59595 CLONING ARTIFACT SEQADV 1SSK VAL A 15 UNP P59595 CLONING ARTIFACT SEQADV 1SSK PRO A 16 UNP P59595 CLONING ARTIFACT SEQADV 1SSK ARG A 17 UNP P59595 CLONING ARTIFACT SEQADV 1SSK GLY A 18 UNP P59595 CLONING ARTIFACT SEQADV 1SSK SER A 19 UNP P59595 CLONING ARTIFACT SEQADV 1SSK ALA A 20 UNP P59595 CLONING ARTIFACT SEQADV 1SSK MET A 21 UNP P59595 INITIATING METHIONINE SEQRES 1 A 158 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 158 LEU VAL PRO ARG GLY SER ALA MET GLY LEU PRO ASN ASN SEQRES 3 A 158 THR ALA SER TRP PHE THR ALA LEU THR GLN HIS GLY LYS SEQRES 4 A 158 GLU GLU LEU ARG PHE PRO ARG GLY GLN GLY VAL PRO ILE SEQRES 5 A 158 ASN THR ASN SER GLY PRO ASP ASP GLN ILE GLY TYR TYR SEQRES 6 A 158 ARG ARG ALA THR ARG ARG VAL ARG GLY GLY ASP GLY LYS SEQRES 7 A 158 MET LYS GLU LEU SER PRO ARG TRP TYR PHE TYR TYR LEU SEQRES 8 A 158 GLY THR GLY PRO GLU ALA SER LEU PRO TYR GLY ALA ASN SEQRES 9 A 158 LYS GLU GLY ILE VAL TRP VAL ALA THR GLU GLY ALA LEU SEQRES 10 A 158 ASN THR PRO LYS ASP HIS ILE GLY THR ARG ASN PRO ASN SEQRES 11 A 158 ASN ASN ALA ALA THR VAL LEU GLN LEU PRO GLN GLY THR SEQRES 12 A 158 THR LEU PRO LYS GLY PHE TYR ALA GLU GLY SER ARG GLY SEQRES 13 A 158 GLY SER SHEET 1 A 5 ILE A 108 VAL A 111 0 SHEET 2 A 5 ILE A 62 ALA A 68 -1 N GLY A 63 O VAL A 111 SHEET 3 A 5 ARG A 85 LEU A 91 -1 O ARG A 85 N ALA A 68 SHEET 4 A 5 ALA A 33 GLN A 36 -1 N LEU A 34 O TRP A 86 SHEET 5 A 5 PHE A 149 TYR A 150 -1 O TYR A 150 N THR A 35 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
Complete list - 2 20 Bytes