Header list of 1ne3.pdb file
Complete list - b 23 2 Bytes
HEADER RIBOSOME 10-DEC-02 1NE3 TITLE SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S28E FROM METHANOBACTERIUM TITLE 2 THERMOAUTOTROPHICUM. ONTARIO CENTRE FOR STRUCTURAL PROTEOMICS TARGET TITLE 3 MTH0256_1_68; NORTHEAST STRUCTURAL GENOMICS TARGET TT744 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 30S RIBOSOMAL PROTEIN S28E; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS; SOURCE 3 ORGANISM_TAXID: 2186; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS BETA PROTEIN, STRUCTURAL GENOMICS, OCSP, NESG, PROTEIN STRUCTURE KEYWDS 2 INITIATIVE, PSI, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, RIBOSOME EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR B.WU,A.PINEDA-LUCENA,A.YEE,J.R.CORT,T.A.RAMELOT,M.KENNEDY,A.EDWARDS, AUTHOR 2 C.H.ARROWSMITH,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 5 23-FEB-22 1NE3 1 REMARK REVDAT 4 24-FEB-09 1NE3 1 VERSN REVDAT 3 25-JAN-05 1NE3 1 AUTHOR KEYWDS REVDAT 2 12-OCT-04 1NE3 1 KEYWDS TITLE REMARK REVDAT 1 23-DEC-03 1NE3 0 JRNL AUTH B.WU,A.YEE,A.PINEDA-LUCENA,A.SEMESI,T.A.RAMELOT,J.R.CORT, JRNL AUTH 2 J.W.JUNG,A.EDWARDS,W.LEE,M.KENNEDY,C.H.ARROWSMITH JRNL TITL SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S28E FROM JRNL TITL 2 METHANOBACTERIUM THERMOAUTOTROPHICUM. JRNL REF PROTEIN SCI. V. 12 2831 2003 JRNL REFN ISSN 0961-8368 JRNL PMID 14627743 JRNL DOI 10.1110/PS.03358203 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 1.0.5, CYANA 1.0.5 REMARK 3 AUTHORS : GUNTER, P. (CYANA), GUNTER, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1055 NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 132 ANGLE CONSTRAINTS (PHI, PSI AND CHI) REMARK 4 REMARK 4 1NE3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-DEC-02. REMARK 100 THE DEPOSITION ID IS D_1000017796. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 450 MM NACL, 25 MM PHOSPHATE REMARK 210 BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM MTH0256, U-15N,13C; 450 MM REMARK 210 NACL, 25 MM NA2PO4, 1MM REMARK 210 BENZAMIDINE, 1X INHIBITOR REMARK 210 COOKTAIL, 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 REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : TORSION ANGLE 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,TARGET FUNCTION 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: 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 H ILE A 29 O ARG A 37 1.55 REMARK 500 O GLU A 11 H LYS A 26 1.55 REMARK 500 O MET A 23 H VAL A 43 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 ASP A 3 -65.50 69.28 REMARK 500 1 THR A 16 169.11 67.82 REMARK 500 1 THR A 19 54.82 -145.63 REMARK 500 1 GLU A 21 -37.30 -178.14 REMARK 500 1 LYS A 35 132.94 59.14 REMARK 500 1 GLU A 49 136.23 -34.56 REMARK 500 2 ASP A 3 -81.21 -44.85 REMARK 500 2 MET A 18 -55.17 76.41 REMARK 500 2 LYS A 35 132.36 59.21 REMARK 500 2 GLU A 49 136.20 -35.07 REMARK 500 3 MET A 18 158.09 60.80 REMARK 500 3 GLU A 21 -63.43 70.31 REMARK 500 3 LYS A 35 121.88 -26.20 REMARK 500 3 GLU A 49 142.22 -39.22 REMARK 500 4 LYS A 35 133.23 -24.10 REMARK 500 4 GLU A 49 138.60 -35.95 REMARK 500 5 ASP A 3 -65.16 157.28 REMARK 500 5 MET A 18 -67.62 80.59 REMARK 500 5 GLU A 21 -66.43 -140.44 REMARK 500 5 LYS A 35 134.90 -24.52 REMARK 500 5 GLU A 49 134.07 -30.09 REMARK 500 6 THR A 19 -165.44 44.07 REMARK 500 6 LYS A 35 131.49 59.97 REMARK 500 6 GLU A 49 134.14 -37.03 REMARK 500 7 THR A 16 -79.01 66.25 REMARK 500 7 MET A 18 124.71 -170.43 REMARK 500 7 GLU A 21 -44.44 -156.97 REMARK 500 7 LYS A 35 109.03 -13.36 REMARK 500 7 GLU A 49 133.96 -35.96 REMARK 500 8 THR A 16 92.93 39.52 REMARK 500 8 MET A 18 -54.32 179.41 REMARK 500 8 LYS A 35 133.78 -24.86 REMARK 500 8 GLU A 49 132.29 -34.66 REMARK 500 9 ASP A 3 -170.65 60.86 REMARK 500 9 THR A 16 84.28 -69.26 REMARK 500 9 MET A 18 160.43 58.96 REMARK 500 9 THR A 19 -62.92 -97.60 REMARK 500 9 GLU A 21 -47.15 -141.84 REMARK 500 9 LYS A 35 105.35 -2.89 REMARK 500 9 GLU A 49 129.39 -36.38 REMARK 500 10 ASP A 3 94.57 -49.29 REMARK 500 10 THR A 16 105.38 57.15 REMARK 500 10 GLU A 21 -164.46 179.61 REMARK 500 10 LYS A 35 130.66 -23.79 REMARK 500 10 GLU A 49 131.58 -31.40 REMARK 500 11 THR A 16 98.17 59.46 REMARK 500 11 THR A 19 156.33 59.46 REMARK 500 11 LYS A 35 131.61 -23.80 REMARK 500 11 GLU A 49 137.09 -37.17 REMARK 500 12 THR A 16 -79.40 66.59 REMARK 500 REMARK 500 THIS ENTRY HAS 89 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: TT744 RELATED DB: TARGETDB DBREF 1NE3 A 1 68 UNP O26356 RS28_METTH 1 68 SEQRES 1 A 68 MET ASP ASP ALA THR PRO ALA GLU VAL ILE GLU VAL LEU SEQRES 2 A 68 LYS ARG THR GLY MET THR GLY GLU VAL MET GLN VAL LYS SEQRES 3 A 68 CYS ARG ILE LEU ASP GLY ARG ASP LYS GLY ARG ILE LEU SEQRES 4 A 68 THR ARG ASN VAL MET GLY PRO ILE ARG GLU GLY ASP ILE SEQRES 5 A 68 LEU MET LEU LEU ASP THR ILE ARG GLU ALA LYS GLU ILE SEQRES 6 A 68 ARG THR PRO SHEET 1 A 4 ILE A 38 VAL A 43 0 SHEET 2 A 4 MET A 23 ILE A 29 -1 N MET A 23 O VAL A 43 SHEET 3 A 4 THR A 5 LEU A 13 -1 N GLU A 11 O LYS A 26 SHEET 4 A 4 ILE A 52 LEU A 55 -1 O LEU A 53 N ALA A 7 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 - b 23 2 Bytes