Header list of 1z9b.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSLATION 01-APR-05 1Z9B TITLE SOLUTION STRUCTURE OF THE C1-SUBDOMAIN OF BACILLUS STEAROTHERMOPHILUS TITLE 2 TRANSLATION INITIATION FACTOR IF2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSLATION INITIATION FACTOR IF-2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BST IF2-C1 SUBDOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 GENE: INFB; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM109/PCI; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PEV KEYWDS PROTEIN SYNTHESIS TRANSLATION INTIATION IF2 FMET-TRNA NMR STRUCTURE, KEYWDS 2 TRANSLATION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR H.WIENK,S.TOMASELLI,C.BERNARD,R.SPURIO,D.PICONE,C.O.GUALERZI, AUTHOR 2 R.BOELENS REVDAT 4 02-MAR-22 1Z9B 1 REMARK SEQADV REVDAT 3 24-FEB-09 1Z9B 1 VERSN REVDAT 2 13-SEP-05 1Z9B 1 JRNL REVDAT 1 30-AUG-05 1Z9B 0 JRNL AUTH H.WIENK,S.TOMASELLI,C.BERNARD,R.SPURIO,D.PICONE, JRNL AUTH 2 C.O.GUALERZI,R.BOELENS JRNL TITL SOLUTION STRUCTURE OF THE C1-SUBDOMAIN OF BACILLUS JRNL TITL 2 STEAROTHERMOPHILUS TRANSLATION INITIATION FACTOR IF2 JRNL REF PROTEIN SCI. V. 14 2461 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 16081655 JRNL DOI 10.1110/PS.051531305 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 3.5, CNS 1.1 REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER ET AL (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: TALOS AND CSI USED FOR DIHEDRALS REMARK 4 REMARK 4 1Z9B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-APR-05. REMARK 100 THE DEPOSITION ID IS D_1000032460. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 307.4 REMARK 210 PH : 6.4 REMARK 210 IONIC STRENGTH : 200 MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5 MM BST IF2-C1 U-15N & U-13C; REMARK 210 20 MM KPI; 200 MM KCL, PROTEASE REMARK 210 INHIBITOR MIX, NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ; 900 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE LINUX, NMRVIEW 5.3, REMARK 210 CYANA 2.0, TALOS REMARK 210 METHOD USED : INTIAL FOLD DETERMINATION WITH REMARK 210 CNS IN ARIA FOLLOWED BY REMARK 210 ITERATIVE AUTOMATIC ASSIGNMENT REMARK 210 AND SIMULATED ANNEALING IN REMARK 210 CYANA2.0, FOLLOWED BY A ROUND OF REMARK 210 ANNEALING IN ARIA AND FINAL REMARK 210 WATER REFINEMENT USING CNS REMARK 210 PROCEDURE RE_H2O.INP 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 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 1-20 REMARK 470 RES CSSEQI ATOMS REMARK 470 MET A 135 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 GLU A 2 119.86 69.87 REMARK 500 1 GLU A 4 96.88 69.99 REMARK 500 1 VAL A 21 145.54 57.66 REMARK 500 1 LYS A 22 -65.31 70.86 REMARK 500 1 GLN A 33 150.04 78.68 REMARK 500 1 LYS A 35 113.40 -161.89 REMARK 500 1 LYS A 40 169.20 71.78 REMARK 500 1 ASN A 100 14.78 58.61 REMARK 500 1 ARG A 102 158.96 77.87 REMARK 500 1 ARG A 122 42.31 -76.42 REMARK 500 1 ILE A 124 119.09 -177.66 REMARK 500 1 GLU A 129 122.60 68.50 REMARK 500 1 GLU A 132 137.94 169.99 REMARK 500 2 GLU A 2 -43.04 -172.76 REMARK 500 2 PHE A 3 132.79 69.50 REMARK 500 2 GLU A 4 81.27 59.18 REMARK 500 2 LEU A 5 -51.55 -151.94 REMARK 500 2 THR A 7 65.43 -103.67 REMARK 500 2 SER A 10 97.09 -51.32 REMARK 500 2 SER A 11 19.11 57.12 REMARK 500 2 GLU A 17 -69.76 60.97 REMARK 500 2 GLN A 18 -59.20 68.51 REMARK 500 2 ARG A 19 -77.49 51.40 REMARK 500 2 VAL A 25 -15.64 -173.75 REMARK 500 2 SER A 26 -147.65 64.10 REMARK 500 2 ASP A 28 38.30 -83.57 REMARK 500 2 GLN A 36 -23.09 74.98 REMARK 500 2 ASP A 65 -56.55 -140.23 REMARK 500 2 ARG A 102 163.75 73.07 REMARK 500 2 HIS A 121 -93.51 68.40 REMARK 500 2 ARG A 122 -107.82 46.12 REMARK 500 2 ILE A 123 -79.90 57.98 REMARK 500 2 TYR A 125 -81.14 68.17 REMARK 500 2 ASN A 126 101.35 -165.98 REMARK 500 2 GLU A 129 -66.36 66.76 REMARK 500 2 ALA A 133 79.47 57.15 REMARK 500 3 GLU A 4 82.42 64.09 REMARK 500 3 VAL A 13 -61.73 -124.08 REMARK 500 3 LYS A 22 -63.62 -146.35 REMARK 500 3 THR A 23 78.28 -118.91 REMARK 500 3 ASP A 29 -3.22 -144.42 REMARK 500 3 VAL A 66 -166.58 -128.41 REMARK 500 3 ASN A 100 -41.08 73.28 REMARK 500 3 ARG A 102 178.97 66.72 REMARK 500 3 HIS A 121 75.23 66.31 REMARK 500 3 ASN A 126 29.93 -141.80 REMARK 500 3 VAL A 127 103.72 74.17 REMARK 500 3 GLU A 132 -77.44 69.30 REMARK 500 3 ALA A 133 13.70 -144.92 REMARK 500 4 GLU A 2 87.55 62.58 REMARK 500 REMARK 500 THIS ENTRY HAS 320 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 9 ARG A 122 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 6577 RELATED DB: BMRB REMARK 900 1H, 15N AND 13C CHEMICAL SHIFTS, PEAK ASSIGNMENTS, RELAXATION DATA REMARK 900 AND SQUARED ORDER PARAMETERS FOR IF2-C1 REMARK 900 RELATED ID: 1D1N RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE C2-SUBDOMAIN OF BACILLUS REMARK 900 STEAROTHERMOPHILUS IF2 (SAME PROTEIN) REMARK 900 RELATED ID: 4697 RELATED DB: BMRB REMARK 900 1H, 15N AND 13C CHEMICAL SHIFTS FOR IF2-C2 DBREF 1Z9B A 15 135 UNP P04766 IF2_BACST 515 635 SEQADV 1Z9B ASN A 1 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B GLU A 2 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B PHE A 3 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B GLU A 4 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B LEU A 5 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B GLY A 6 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B THR A 7 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B ARG A 8 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B GLY A 9 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B SER A 10 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B SER A 11 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B ARG A 12 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B VAL A 13 UNP P04766 CLONING ARTIFACT SEQADV 1Z9B ASP A 14 UNP P04766 CLONING ARTIFACT SEQRES 1 A 135 ASN GLU PHE GLU LEU GLY THR ARG GLY SER SER ARG VAL SEQRES 2 A 135 ASP LEU GLN GLU GLN ARG SER VAL LYS THR ARG VAL SER SEQRES 3 A 135 LEU ASP ASP LEU PHE GLU GLN ILE LYS GLN GLY GLU MET SEQRES 4 A 135 LYS GLU LEU ASN LEU ILE VAL LYS ALA ASP VAL GLN GLY SEQRES 5 A 135 SER VAL GLU ALA LEU VAL ALA ALA LEU GLN LYS ILE ASP SEQRES 6 A 135 VAL GLU GLY VAL ARG VAL LYS ILE ILE HIS ALA ALA VAL SEQRES 7 A 135 GLY ALA ILE THR GLU SER ASP ILE SER LEU ALA THR ALA SEQRES 8 A 135 SER ASN ALA ILE VAL ILE GLY PHE ASN VAL ARG PRO ASP SEQRES 9 A 135 ALA ASN ALA LYS ARG ALA ALA GLU SER GLU LYS VAL ASP SEQRES 10 A 135 ILE ARG LEU HIS ARG ILE ILE TYR ASN VAL ILE GLU GLU SEQRES 11 A 135 ILE GLU ALA ALA MET HELIX 1 1 VAL A 50 GLN A 62 1 13 HELIX 2 2 THR A 82 ASN A 93 1 12 HELIX 3 3 ASN A 106 SER A 113 1 8 SHEET 1 A 4 ARG A 70 VAL A 78 0 SHEET 2 A 4 GLU A 41 ALA A 48 1 N LEU A 42 O ARG A 70 SHEET 3 A 4 ILE A 95 GLY A 98 1 O ILE A 95 N ILE A 45 SHEET 4 A 4 ARG A 119 LEU A 120 1 O ARG A 119 N GLY A 98 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