Header list of 1yel.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-DEC-04 1YEL
TITLE STRUCTURE OF THE HYPOTHETICAL ARABIDOPSIS THALIANA PROTEIN AT1G16640.1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AT1G16640;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 1-102;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;
SOURCE 3 ORGANISM_COMMON: THALE CRESS;
SOURCE 4 ORGANISM_TAXID: 3702;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: SG13009[PREP4];
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PQE30
KEYWDS CESG, PROTEIN STRUCTURE INITIATIVE, STRUCTURAL GENOMICS, PSI, CENTER
KEYWDS 2 FOR EUKARYOTIC STRUCTURAL GENOMICS, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR F.C.PETERSON,J.K.WALTNER,B.L.LYTLE,B.F.VOLKMAN,CENTER FOR EUKARYOTIC
AUTHOR 2 STRUCTURAL GENOMICS (CESG)
REVDAT 6 02-MAR-22 1YEL 1 REMARK SEQADV
REVDAT 5 24-FEB-09 1YEL 1 VERSN
REVDAT 4 12-FEB-08 1YEL 1 REMARK
REVDAT 3 13-SEP-05 1YEL 1 JRNL
REVDAT 2 30-AUG-05 1YEL 1 JRNL
REVDAT 1 18-JAN-05 1YEL 0
JRNL AUTH J.K.WALTNER,F.C.PETERSON,B.L.LYTLE,B.F.VOLKMAN
JRNL TITL STRUCTURE OF THE B3 DOMAIN FROM ARABIDOPSIS THALIANA PROTEIN
JRNL TITL 2 AT1G16640
JRNL REF PROTEIN SCI. V. 14 2478 2005
JRNL REFN ISSN 0961-8368
JRNL PMID 16081658
JRNL DOI 10.1110/PS.051606305
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, X-PLOR NIH
REMARK 3 AUTHORS : BRUKER BIOSPIN (XWINNMR), G. MARIUS CLORE (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON A TOTAL OF 1294
REMARK 3 NOE RESTRAINTS (241 INTRA, 301 SEQUENTIAL, 193 MEDIUM, AND 559
REMARK 3 LONG RANGE), AND 144 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS.
REMARK 4
REMARK 4 1YEL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-DEC-04.
REMARK 100 THE DEPOSITION ID IS D_1000031428.
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 : 70 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8 MM AT1G16640 U-15N,13C, 20
REMARK 210 MM PO4, 50 MM NACL, 90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D 13C-
REMARK 210 SEPARATED NOESY (AROMATIC)
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2004, SPSCAN, XEASY 1.3,
REMARK 210 GARANT 2.1, CYANA 1.0.6
REMARK 210 METHOD USED : AUTOMATED METHODS WERE USED FOR
REMARK 210 BACKBONE CHEMICAL SHIFT
REMARK 210 ASSIGNMENT AND ITERATIVE NOE
REMARK 210 REFINEMENT. FINAL STRUCTURES
REMARK 210 WERE OBTAINED BY MOLECULAR
REMARK 210 DYNAMICS IN EXPLICIT SOLVENT.
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: ALL TRIPLE-RESONANCE AND NOESY SPECTRA WERE ACQUIRED USING
REMARK 210 A CRYOGENIC PROBE.
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-20
REMARK 465 RES C SSSEQI
REMARK 465 GLY A -1
REMARK 465 SER A 0
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 HZ2 LYS A 80 O CYS A 102 1.57
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 THR A 64 -98.70 -94.49
REMARK 500 1 ASN A 75 90.96 60.11
REMARK 500 1 ASP A 87 -97.47 -88.37
REMARK 500 1 ARG A 88 20.27 -154.11
REMARK 500 1 ASP A 89 -154.61 -143.56
REMARK 500 1 HIS A 99 -42.37 170.89
REMARK 500 1 ASN A 100 -32.08 -177.51
REMARK 500 2 THR A 4 -72.91 -74.79
REMARK 500 2 THR A 64 -150.52 -85.21
REMARK 500 2 ASN A 75 94.89 57.80
REMARK 500 2 ARG A 90 41.74 -95.52
REMARK 500 3 ALA A 2 89.51 63.40
REMARK 500 3 GLU A 6 93.85 -61.38
REMARK 500 3 LYS A 20 -33.35 -134.55
REMARK 500 3 PHE A 32 95.94 -167.74
REMARK 500 3 THR A 64 -142.73 -101.31
REMARK 500 3 ASN A 75 82.81 55.63
REMARK 500 3 ASP A 87 -79.92 -96.31
REMARK 500 3 ARG A 88 16.49 -143.42
REMARK 500 3 HIS A 99 -48.46 -144.08
REMARK 500 3 MET A 101 -44.94 169.83
REMARK 500 4 SER A 15 -9.46 -58.38
REMARK 500 4 PHE A 32 103.24 -168.54
REMARK 500 4 THR A 64 -144.38 -99.16
REMARK 500 4 ASN A 75 92.38 56.22
REMARK 500 4 ASP A 89 -159.36 -106.08
REMARK 500 4 HIS A 99 -74.88 65.51
REMARK 500 4 ASN A 100 85.65 -169.68
REMARK 500 5 ASP A 3 78.39 68.42
REMARK 500 5 LYS A 20 -36.17 -136.22
REMARK 500 5 THR A 64 -103.65 -95.03
REMARK 500 5 ASN A 75 83.92 54.82
REMARK 500 5 ARG A 88 80.40 63.75
REMARK 500 5 ASP A 89 -168.67 -172.82
REMARK 500 6 ASP A 3 149.29 71.08
REMARK 500 6 THR A 64 -92.16 -90.00
REMARK 500 6 ASN A 75 82.75 60.77
REMARK 500 6 ASP A 87 -78.78 -81.79
REMARK 500 6 ARG A 88 24.23 -176.82
REMARK 500 6 HIS A 99 125.90 68.04
REMARK 500 7 GLU A 6 80.95 42.76
REMARK 500 7 PHE A 32 80.45 -161.35
REMARK 500 7 THR A 64 -144.55 -96.43
REMARK 500 7 ASN A 75 94.86 53.99
REMARK 500 7 ASP A 89 -159.63 -96.35
REMARK 500 7 ASN A 100 100.79 -160.08
REMARK 500 8 THR A 64 -141.53 -78.21
REMARK 500 8 ASN A 75 83.82 56.74
REMARK 500 8 ARG A 88 -0.05 84.47
REMARK 500 8 ASP A 89 -165.18 -101.13
REMARK 500
REMARK 500 THIS ENTRY HAS 126 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 15 ARG A 53 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: GO.33931 RELATED DB: TARGETDB
DBREF 1YEL A 1 102 UNP Q9FX77 Q9FX77_ARATH 1 102
SEQADV 1YEL GLY A -1 UNP Q9FX77 CLONING ARTIFACT
SEQADV 1YEL SER A 0 UNP Q9FX77 CLONING ARTIFACT
SEQRES 1 A 104 GLY SER MET ALA ASP THR GLY GLU VAL GLN PHE MET LYS
SEQRES 2 A 104 PRO PHE ILE SER GLU LYS SER SER LYS SER LEU GLU ILE
SEQRES 3 A 104 PRO LEU GLY PHE ASN GLU TYR PHE PRO ALA PRO PHE PRO
SEQRES 4 A 104 ILE THR VAL ASP LEU LEU ASP TYR SER GLY ARG SER TRP
SEQRES 5 A 104 THR VAL ARG MET LYS LYS ARG GLY GLU LYS VAL PHE LEU
SEQRES 6 A 104 THR VAL GLY TRP GLU ASN PHE VAL LYS ASP ASN ASN LEU
SEQRES 7 A 104 GLU ASP GLY LYS TYR LEU GLN PHE ILE TYR ASP ARG ASP
SEQRES 8 A 104 ARG THR PHE TYR VAL ILE ILE TYR GLY HIS ASN MET CYS
HELIX 1 1 PRO A 25 GLU A 30 1 6
HELIX 2 2 GLY A 66 ASN A 75 1 10
SHEET 1 A 7 VAL A 7 PRO A 12 0
SHEET 2 A 7 TYR A 81 TYR A 86 -1 O TYR A 86 N VAL A 7
SHEET 3 A 7 THR A 91 ILE A 96 -1 O ILE A 95 N GLN A 83
SHEET 4 A 7 THR A 39 LEU A 43 1 N LEU A 43 O VAL A 94
SHEET 5 A 7 SER A 49 ARG A 57 -1 O TRP A 50 N LEU A 42
SHEET 6 A 7 LYS A 60 LEU A 63 -1 O PHE A 62 N LYS A 55
SHEET 7 A 7 LEU A 22 GLU A 23 -1 N LEU A 22 O LEU A 63
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