Header list of 1whu.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSFERASE 28-MAY-04 1WHU
TITLE SOLUTION STRUCTURE OF THE ALPHA-HELICAL DOMAIN FROM MOUSE HYPOTHETICAL
TITLE 2 PNPASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: POLYNUCLEOTIDE PHOSPHORYLASE; 3'-5' RNA EXONUCLEASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ALPHA-HELICAL DOMAIN;
COMPND 5 SYNONYM: HYPOTHETICAL PNPASE;
COMPND 6 EC: 2.7.7.8;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: RIKEN CDNA 1200003F12;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P031222-56;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS POLYNUCLEOTIDE PHOSPHORYLASE, PNPASE, ALPHA-HELICAL DOMAIN, 3'-5' RNA
KEYWDS 2 EXONUCLEASE, STRUCTURAL GENOMICS, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGATA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WHU 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WHU 1 VERSN
REVDAT 1 28-NOV-04 1WHU 0
JRNL AUTH T.NAGATA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE ALPHA-HELICAL DOMAIN FROM MOUSE
JRNL TITL 2 HYPOTHETICAL PNPASE
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRVIEW 5.0.4, CYANA 2.0
REMARK 3 AUTHORS : JOHNSON (NMRVIEW), GUENTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WHU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023593.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 100MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.12MM PROTEIN U-15N, 13C; 20MM
REMARK 210 D-TRIS-HCL; 100MM NACL; 1MM D-
REMARK 210 DTT; 0.02% NAN3; 90% H2O; 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CYANA 2.0, NMRPIPE 2.3, KUJIRA
REMARK 210 0.901
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY.
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 1 SER A 272 124.53 -174.99
REMARK 500 1 PRO A 274 2.83 -69.74
REMARK 500 1 PRO A 280 -168.95 -69.75
REMARK 500 1 ARG A 318 -32.74 -39.10
REMARK 500 1 LEU A 325 -61.14 -94.40
REMARK 500 1 GLU A 356 133.70 -175.14
REMARK 500 1 ARG A 363 155.91 -41.19
REMARK 500 2 GLU A 294 -70.37 -45.78
REMARK 500 2 VAL A 308 -25.94 -38.98
REMARK 500 2 ARG A 310 37.60 -92.05
REMARK 500 2 LEU A 325 -60.30 -94.18
REMARK 500 2 ASN A 342 -36.45 -35.72
REMARK 500 2 ASP A 364 141.49 -36.91
REMARK 500 3 ARG A 318 -32.89 -37.97
REMARK 500 3 CYS A 360 100.42 -46.36
REMARK 500 3 SER A 369 158.48 -47.88
REMARK 500 4 MET A 293 -71.14 -49.44
REMARK 500 4 ARG A 318 -33.67 -39.22
REMARK 500 4 GLU A 347 -34.99 -39.86
REMARK 500 4 ARG A 350 -28.30 -37.77
REMARK 500 4 TYR A 357 53.47 36.75
REMARK 500 5 ARG A 318 -39.66 -34.87
REMARK 500 5 CYS A 360 41.32 -102.10
REMARK 500 6 PRO A 274 -174.47 -69.74
REMARK 500 6 PRO A 280 -170.71 -69.79
REMARK 500 6 GLU A 294 -72.17 -46.87
REMARK 500 6 ASP A 306 129.85 -38.42
REMARK 500 6 ARG A 310 53.30 35.82
REMARK 500 6 ARG A 318 -30.87 -39.36
REMARK 500 6 ILE A 338 -71.40 -74.29
REMARK 500 6 GLU A 347 -70.57 -54.72
REMARK 500 6 TYR A 357 152.68 -44.61
REMARK 500 6 LYS A 358 126.83 -39.61
REMARK 500 6 SER A 365 -62.40 -94.73
REMARK 500 7 PRO A 274 -174.01 -69.78
REMARK 500 7 ASP A 302 -73.27 -47.78
REMARK 500 7 ARG A 318 -34.37 -36.56
REMARK 500 7 GLU A 347 -70.41 -67.63
REMARK 500 7 ARG A 359 115.92 -171.46
REMARK 500 7 SER A 368 100.21 -59.15
REMARK 500 8 PRO A 280 -174.06 -69.72
REMARK 500 8 GLU A 283 -33.26 -36.44
REMARK 500 8 LEU A 296 -38.55 -38.60
REMARK 500 8 ASP A 302 -71.91 -62.99
REMARK 500 8 ARG A 310 34.67 73.59
REMARK 500 8 ARG A 318 -39.10 -36.43
REMARK 500 8 LEU A 325 -60.06 -93.31
REMARK 500 8 GLU A 356 83.90 -61.27
REMARK 500 8 TYR A 357 109.25 -40.95
REMARK 500 8 PRO A 367 89.80 -69.80
REMARK 500
REMARK 500 THIS ENTRY HAS 154 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007006722.1 RELATED DB: TARGETDB
DBREF 1WHU A 274 364 UNP Q8K1R3 PNPT1_MOUSE 273 363
SEQADV 1WHU GLY A 267 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 268 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 269 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU GLY A 270 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 271 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 272 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU GLY A 273 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 365 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU GLY A 366 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU PRO A 367 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 368 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU SER A 369 UNP Q8K1R3 CLONING ARTIFACT
SEQADV 1WHU GLY A 370 UNP Q8K1R3 CLONING ARTIFACT
SEQRES 1 A 104 GLY SER SER GLY SER SER GLY PRO GLN LYS ILE PHE THR
SEQRES 2 A 104 PRO SER ALA GLU ILE VAL LYS TYR THR LYS ILE ILE ALA
SEQRES 3 A 104 MET GLU LYS LEU TYR ALA VAL PHE THR ASP TYR GLU HIS
SEQRES 4 A 104 ASP LYS VAL SER ARG ASP GLU ALA VAL ASN LYS ILE ARG
SEQRES 5 A 104 LEU ASP THR GLU GLU HIS LEU LYS GLU LYS PHE PRO GLU
SEQRES 6 A 104 VAL ASP GLN PHE GLU ILE ILE GLU SER PHE ASN ILE VAL
SEQRES 7 A 104 ALA LYS GLU VAL PHE ARG SER ILE ILE LEU ASN GLU TYR
SEQRES 8 A 104 LYS ARG CYS ASP GLY ARG ASP SER GLY PRO SER SER GLY
HELIX 1 1 ALA A 282 PHE A 300 1 19
HELIX 2 2 SER A 309 LEU A 325 1 17
HELIX 3 3 GLN A 334 ILE A 353 1 20
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