Header list of 2alj.pdb file
Complete list - r 9 2 Bytes
HEADER CELL CYCLE 05-AUG-05 2ALJ TITLE STRUCTURE OF THE CIS CONFOMER OF THE MAJOR EXTRACYTOPLASMIC DOMAIN OF TITLE 2 THE BACTERIAL CELL DIVISION PROTEIN DIVIB FROM GEOBACILLUS TITLE 3 STEAROTHERMOPHILUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: CELL-DIVISION INITIATION PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BETA DOMAIN; COMPND 5 SYNONYM: DIVIB, FTSQ; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 GENE: DIVIB; 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: PGEX-2T; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSAR19 KEYWDS CELL-DIVISION INITIATION PROTEIN, DIVIB, FTSQ, DIVISOME, CELL CYCLE EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR S.A.ROBSON,G.F.KING REVDAT 4 09-MAR-22 2ALJ 1 REMARK REVDAT 3 24-FEB-09 2ALJ 1 VERSN REVDAT 2 09-MAY-06 2ALJ 1 JRNL REVDAT 1 11-APR-06 2ALJ 0 JRNL AUTH S.A.ROBSON,G.F.KING JRNL TITL DOMAIN ARCHITECTURE AND STRUCTURE OF THE BACTERIAL CELL JRNL TITL 2 DIVISION PROTEIN DIVIB JRNL REF PROC.NATL.ACAD.SCI.USA V. 103 6700 2006 JRNL REFN ISSN 0027-8424 JRNL PMID 16618922 JRNL DOI 10.1073/PNAS.0601397103 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.J.HARRY,R.G.WAKE REMARK 1 TITL CLONING AND EXPRESSION OF A BACILLUS SUBTILIS DIVISION REMARK 1 TITL 2 INITIATION GENE FOR WHICH A HOMOLOG HAS NOT BEEN IDENTIFIED REMARK 1 TITL 3 IN ANOTHER ORGANISM REMARK 1 REF J.BACTERIOL. V. 171 6835 1989 REMARK 1 REFN ISSN 0021-9193 REMARK 1 REFERENCE 2 REMARK 1 AUTH B.BEALL,J.LUTKENHAUS REMARK 1 TITL NUCLEOTIDE SEQUENCE AND INSERTIONAL INACTIVATION OF A REMARK 1 TITL 2 BACILLUS SUBTILIS GENE THAT AFFECTS CELL DIVISION, REMARK 1 TITL 3 SPORULATION, AND TEMPERATURE SENSITIVITY REMARK 1 REF J.BACTERIOL. V. 171 6821 1989 REMARK 1 REFN ISSN 0021-9193 REMARK 1 REFERENCE 3 REMARK 1 AUTH S.L.ROWLAND,V.L.KATIS,S.R.PARTRIDGE,R.G.WAKE REMARK 1 TITL DIVIB, FTSZ AND CELL DIVISION IN BACILLUS SUBTILIS REMARK 1 REF MOL.MICROBIOL. V. 25 275 1997 REMARK 1 REFN ISSN 0950-382X REMARK 1 REFERENCE 4 REMARK 1 AUTH V.L.KATIS,R.G.WAKE REMARK 1 TITL MEMBRANE-BOUND DIVISION PROTEINS DIVIB AND DIVIC OF BACILLUS REMARK 1 TITL 2 SUBTILIS FUNCTION SOLELY THROUGH THEIR EXTERNAL DOMAINS IN REMARK 1 TITL 3 BOTH VEGETATIVE AND SPORULATION DIVISION REMARK 1 REF J.BACTERIOL. V. 181 2710 1999 REMARK 1 REFN ISSN 0021-9193 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : AXEL T. BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF REMARK 3 2544 NOE-DERIVED DISTANCE RESTRAINTS, 88 RESTRAINTS DEFINING 44 REMARK 3 HYDROGEN BONDS, AND 197 DIHEDRAL ANGLE RESTRAINTS REMARK 4 REMARK 4 2ALJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-AUG-05. REMARK 100 THE DEPOSITION ID IS D_1000034035. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 0.16 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM DIVIB, 150 MM NACL, 10 MM REMARK 210 SODIUM PHOSPHATE, 10 MICROMOLAR REMARK 210 EDTA, 10 MICROMOLAR 4-(2- REMARK 210 AMINOETHYL)BENZENESULFONYL REMARK 210 FLOURIDE (AEBSF), 0.02% SODIUM REMARK 210 AZIDE, PH 6.0, 92.5% H2O, 7.5% REMARK 210 D2O; 1 MM DIVIB, 150 MM NACL, 10 REMARK 210 MM SODIUM PHOSPHATE, 10 REMARK 210 MICROMOLAR EDTA, 10 MICROMOLAR 4- REMARK 210 (2-AMINOETHYL)BENZENESULFONYL REMARK 210 FLOURIDE (AEBSF), 0.02% SODIUM REMARK 210 AZIDE, PH 6.0, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_ 13C REMARK 210 -SEPARATED_NOESY; HNHA; HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.2, XEASY 1.3.13, C, REMARK 210 ID/CYANA 1.1 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 (CANDID/CYANA) FOLLOWED BY REMARK 210 SIMULATED ANNEALING (XPLOR) REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH LOWEST ENERGY REMARK 210 AND NO 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 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 117 154.79 61.07 REMARK 500 1 LYS A 159 -172.19 -67.89 REMARK 500 1 ASP A 160 154.32 -42.69 REMARK 500 1 MET A 182 165.84 178.43 REMARK 500 1 SER A 183 -54.53 -121.47 REMARK 500 1 ALA A 223 42.13 174.15 REMARK 500 1 ALA A 225 93.23 76.05 REMARK 500 1 ALA A 226 -161.77 -110.00 REMARK 500 1 ASN A 231 36.75 -98.19 REMARK 500 1 VAL A 232 33.92 -150.88 REMARK 500 2 GLU A 117 148.20 61.89 REMARK 500 2 GLU A 143 -79.12 -89.46 REMARK 500 2 LYS A 146 51.97 -91.10 REMARK 500 2 THR A 147 148.48 -170.59 REMARK 500 2 LYS A 159 -172.27 -66.43 REMARK 500 2 ASP A 160 154.39 -43.21 REMARK 500 2 MET A 182 160.48 178.49 REMARK 500 2 SER A 183 -52.31 -120.56 REMARK 500 2 ALA A 223 76.40 83.12 REMARK 500 2 ALA A 225 139.12 67.99 REMARK 500 2 ALA A 226 -164.10 -115.91 REMARK 500 2 ASP A 229 56.47 -110.60 REMARK 500 2 ARG A 230 -55.31 -148.33 REMARK 500 2 ASN A 231 92.80 -60.84 REMARK 500 3 SER A 116 -68.03 68.31 REMARK 500 3 GLU A 143 28.47 -147.31 REMARK 500 3 LYS A 146 50.02 -90.34 REMARK 500 3 LYS A 159 -172.47 -64.76 REMARK 500 3 ASP A 160 154.89 -44.35 REMARK 500 3 MET A 182 163.40 178.79 REMARK 500 3 SER A 183 -57.10 -120.39 REMARK 500 3 ASP A 195 40.39 -106.55 REMARK 500 3 ALA A 223 74.49 85.18 REMARK 500 3 ALA A 225 164.66 64.44 REMARK 500 3 ASP A 229 40.50 -101.45 REMARK 500 3 VAL A 232 151.74 63.71 REMARK 500 4 GLU A 143 26.70 -145.83 REMARK 500 4 LYS A 146 53.24 -90.04 REMARK 500 4 LYS A 159 -172.37 -66.47 REMARK 500 4 ASP A 160 154.22 -43.06 REMARK 500 4 MET A 182 171.60 177.81 REMARK 500 4 SER A 183 -54.59 -127.54 REMARK 500 4 TYR A 193 75.25 -157.73 REMARK 500 4 ALA A 223 42.56 178.84 REMARK 500 4 ALA A 225 40.33 176.81 REMARK 500 4 ALA A 226 -176.25 59.99 REMARK 500 4 ARG A 230 -53.39 -136.45 REMARK 500 5 GLU A 143 24.83 -147.16 REMARK 500 5 LYS A 146 53.92 -92.95 REMARK 500 5 LYS A 159 -172.43 -66.00 REMARK 500 REMARK 500 THIS ENTRY HAS 283 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YR1 RELATED DB: PDB REMARK 900 TRANS ISOMER OF THE SAME PROTEIN REMARK 999 REMARK 999 SEQUENCE DIVIB FRAGMENT WAS SUBCLONED AS A TRANSLATIONAL FUSION REMARK 999 TO THE C-TERMINUS OF SCHISTOSOMA JAPONICUM GLUTATHIONE S- REMARK 999 TRANSFERASE. THE GENE SEQUENCE ENCODING THIS PROTEIN DOMAIN WAS REMARK 999 CLONED USING CHROMOSOMAL DNA FROM GEOBACILLUS REMARK 999 STEAROTHERMOPHILUS. THE SEQUENCE MATCHES THAT OF THE REMARK 999 CORRESPONDING DOMAIN OF THE DIVIB ORTHOLOG FROM GEOBACILLUS REMARK 999 KAUSTOPHILUS (SWISS-PROT ENTRY Q5L0X5_GEOKA AND GENBANK GI: REMARK 999 56419655). DBREF 2ALJ A 117 233 UNP Q5L0X5 Q5L0X5_GEOKA 117 233 SEQRES 1 A 119 GLY SER GLU TRP ARG ARG ILE ALA TYR VAL TYR ASP ARG SEQRES 2 A 119 GLN THR PHE PHE PRO LEU LEU GLU ASN GLY ARG LEU LEU SEQRES 3 A 119 LYS GLN GLU GLY THR LYS THR ALA PRO SER ASP ALA PRO SEQRES 4 A 119 VAL LEU VAL GLY TRP LYS ASP GLY ASP ALA ILE ALA GLU SEQRES 5 A 119 MET THR GLY GLN LEU ALA GLU LEU PRO ALA ALA VAL LEU SEQRES 6 A 119 GLY ALA MET SER GLU ILE HIS TYR LYS PRO THR ARG GLU SEQRES 7 A 119 TYR GLU ASP ARG VAL ILE VAL TYR MET ASN ASP GLY TYR SEQRES 8 A 119 GLU VAL SER ALA THR ILE ARG GLN PHE ALA ASP LYS LEU SEQRES 9 A 119 SER HIS TYR PRO ALA ILE ALA ALA ALA LEU ASP ARG ASN SEQRES 10 A 119 VAL LYS HELIX 1 1 GLY A 161 ALA A 172 1 12 HELIX 2 2 ALA A 176 ALA A 181 1 6 HELIX 3 3 PHE A 214 HIS A 220 1 7 SHEET 1 A 6 THR A 129 LEU A 134 0 SHEET 2 A 6 ARG A 120 ASP A 126 -1 N ALA A 122 O LEU A 133 SHEET 3 A 6 VAL A 154 VAL A 156 1 O LEU A 155 N TYR A 123 SHEET 4 A 6 ILE A 185 TYR A 187 1 O ILE A 185 N VAL A 154 SHEET 5 A 6 ARG A 196 TYR A 200 -1 O ILE A 198 N HIS A 186 SHEET 6 A 6 GLU A 206 THR A 210 -1 O ALA A 209 N VAL A 197 CISPEP 1 TYR A 221 PRO A 222 1 0.14 CISPEP 2 TYR A 221 PRO A 222 2 0.17 CISPEP 3 TYR A 221 PRO A 222 3 0.30 CISPEP 4 TYR A 221 PRO A 222 4 0.09 CISPEP 5 TYR A 221 PRO A 222 5 0.15 CISPEP 6 TYR A 221 PRO A 222 6 0.10 CISPEP 7 TYR A 221 PRO A 222 7 0.06 CISPEP 8 TYR A 221 PRO A 222 8 0.11 CISPEP 9 TYR A 221 PRO A 222 9 0.03 CISPEP 10 TYR A 221 PRO A 222 10 0.43 CISPEP 11 TYR A 221 PRO A 222 11 0.15 CISPEP 12 TYR A 221 PRO A 222 12 0.06 CISPEP 13 TYR A 221 PRO A 222 13 0.18 CISPEP 14 TYR A 221 PRO A 222 14 0.14 CISPEP 15 TYR A 221 PRO A 222 15 0.21 CISPEP 16 TYR A 221 PRO A 222 16 0.21 CISPEP 17 TYR A 221 PRO A 222 17 0.23 CISPEP 18 TYR A 221 PRO A 222 18 0.31 CISPEP 19 TYR A 221 PRO A 222 19 0.19 CISPEP 20 TYR A 221 PRO A 222 20 0.17 CISPEP 21 TYR A 221 PRO A 222 21 0.28 CISPEP 22 TYR A 221 PRO A 222 22 0.14 CISPEP 23 TYR A 221 PRO A 222 23 0.18 CISPEP 24 TYR A 221 PRO A 222 24 0.19 CISPEP 25 TYR A 221 PRO A 222 25 0.26 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 9 2 Bytes