Header list of 1th5.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-JUN-04 1TH5
TITLE SOLUTION STRUCTURE OF C-TERMINAL DOMAIN OF NIFU-LIKE PROTEIN FROM
TITLE 2 ORYZA SATIVA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NIFU1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 154-226;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA;
SOURCE 3 ORGANISM_COMMON: RICE;
SOURCE 4 ORGANISM_TAXID: 4530;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDEST32A
KEYWDS IRON-SULFUR CLUSTER BINDING, STRUCTURAL GENOMICS, PROGRAM FOR RICE
KEYWDS 2 GENOME RESEARCH, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.KUMETA,K.OGURA,M.ASAYAMA,S.KATOH,E.KATOH,F.INAGAKI
REVDAT 5 02-MAR-22 1TH5 1 REMARK SEQADV
REVDAT 4 09-JUN-09 1TH5 1 REVDAT
REVDAT 3 24-FEB-09 1TH5 1 VERSN
REVDAT 2 06-JAN-09 1TH5 1 JRNL
REVDAT 1 27-SEP-05 1TH5 0
JRNL AUTH H.KUMETA,K.OGURA,M.ASAYAMA,S.KATOH,E.KATOH,K.TESHIMA,
JRNL AUTH 2 F.INAGAKI
JRNL TITL THE NMR STRUCTURE OF THE DOMAIN II OF A CHLOROPLASTIC
JRNL TITL 2 NIFU-LIKE PROTEIN OSNIFU1A.
JRNL REF J.BIOMOL.NMR V. 38 161 2007
JRNL REFN ISSN 0925-2738
JRNL PMID 17431550
JRNL DOI 10.1007/S10858-007-9155-9
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 1.06
REMARK 3 AUTHORS : WELCH (VNMR), GUNTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TH5 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_1000022641.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 100MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8MM OSNIFU1L154-S226 U-15N;
REMARK 210 20MM NAPI PH6.0; 100MM NACL;
REMARK 210 2.5MM BETA-ME; 0.45MM
REMARK 210 OSNIFU1L154-S226 U-15N,13C; 20MM
REMARK 210 NAPI PH6.0; 100MM NACL; 2.5MM
REMARK 210 BETA-ME
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 23, SPARKY 3.11, CYANA
REMARK 210 1.06
REMARK 210 METHOD USED : DISTANCE GEOMETR,Y SIMULATED
REMARK 210 ANNEALING, TORSION ANGLE DYNAMICS
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: 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 1 LEU A 156 92.66 59.62
REMARK 500 1 ASN A 160 -72.53 -96.59
REMARK 500 1 VAL A 161 -34.18 -33.94
REMARK 500 1 PRO A 170 2.54 -69.78
REMARK 500 1 GLN A 181 90.07 33.63
REMARK 500 1 LEU A 183 -79.61 -72.98
REMARK 500 1 LEU A 194 86.21 -167.67
REMARK 500 1 ALA A 198 57.51 -118.03
REMARK 500 1 ALA A 199 -94.58 -99.89
REMARK 500 1 VAL A 200 59.94 -112.26
REMARK 500 1 ARG A 202 133.05 67.56
REMARK 500 1 THR A 203 -51.25 78.54
REMARK 500 1 VAL A 208 -83.73 -59.22
REMARK 500 1 LEU A 212 -77.62 -47.18
REMARK 500 1 GLU A 214 -80.86 -41.21
REMARK 500 1 GLN A 220 -33.78 -134.84
REMARK 500 1 LEU A 225 -176.81 -59.91
REMARK 500 2 LEU A 156 97.74 52.86
REMARK 500 2 VAL A 161 -33.21 -39.09
REMARK 500 2 PRO A 170 1.92 -69.72
REMARK 500 2 ALA A 173 42.81 -89.90
REMARK 500 2 LEU A 180 -32.98 -173.90
REMARK 500 2 GLN A 181 99.07 -36.22
REMARK 500 2 LEU A 183 -73.60 -76.00
REMARK 500 2 MET A 184 -168.95 -173.40
REMARK 500 2 PRO A 188 3.27 -69.84
REMARK 500 2 PRO A 197 0.43 -69.67
REMARK 500 2 ALA A 199 42.06 -80.53
REMARK 500 2 VAL A 200 -29.41 179.34
REMARK 500 2 THR A 203 -44.02 176.03
REMARK 500 2 GLU A 214 -72.49 -85.14
REMARK 500 2 GLN A 220 -38.39 -139.66
REMARK 500 3 LEU A 156 100.94 58.29
REMARK 500 3 GLU A 158 -35.90 -34.89
REMARK 500 3 ILE A 168 -45.46 -131.75
REMARK 500 3 LEU A 180 -39.50 -133.56
REMARK 500 3 GLN A 181 90.08 34.30
REMARK 500 3 PHE A 182 107.78 -36.96
REMARK 500 3 LEU A 183 -79.78 -68.38
REMARK 500 3 PRO A 188 3.20 -69.73
REMARK 500 3 LEU A 194 81.46 -162.60
REMARK 500 3 THR A 195 -169.66 -114.24
REMARK 500 3 VAL A 201 -33.85 -159.79
REMARK 500 3 ARG A 202 142.68 85.35
REMARK 500 3 THR A 203 -32.45 83.03
REMARK 500 3 VAL A 204 -71.61 -70.14
REMARK 500 3 VAL A 208 -85.73 -65.77
REMARK 500 3 LEU A 212 -73.77 -35.00
REMARK 500 3 GLU A 214 -72.10 -57.14
REMARK 500 3 GLN A 220 -34.91 -136.89
REMARK 500
REMARK 500 THIS ENTRY HAS 310 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1Q48 RELATED DB: PDB
REMARK 900 A STRUCTURAL HOMOLOG
DBREF 1TH5 A 154 226 UNP Q84LK7 Q84LK7_ORYSA 154 226
SEQADV 1TH5 MET A 153 UNP Q84LK7 CLONING ARTIFACT
SEQRES 1 A 74 MET LEU GLU LEU ASN GLU GLU ASN VAL GLU LYS VAL LEU
SEQRES 2 A 74 ASN GLU ILE ARG PRO TYR LEU ALA GLY THR GLY GLY GLY
SEQRES 3 A 74 GLY LEU GLN PHE LEU MET ILE LYS GLY PRO ILE VAL LYS
SEQRES 4 A 74 VAL ARG LEU THR GLY PRO ALA ALA VAL VAL ARG THR VAL
SEQRES 5 A 74 ARG ILE ALA VAL SER LYS LYS LEU ARG GLU LYS ILE PRO
SEQRES 6 A 74 SER ILE GLN ILE VAL GLN LEU LEU SER
HELIX 1 1 ASN A 157 ASN A 166 1 10
HELIX 2 2 ILE A 168 ALA A 173 1 6
HELIX 3 3 THR A 203 ILE A 216 1 14
SHEET 1 A 3 MET A 184 LYS A 186 0
SHEET 2 A 3 ILE A 189 VAL A 192 -1 O LYS A 191 N MET A 184
SHEET 3 A 3 ILE A 221 LEU A 224 1 O GLN A 223 N VAL A 190
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