Header list of 1yyc.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-FEB-05 1YYC
TITLE SOLUTION STRUCTURE OF A PUTATIVE LATE EMBRYOGENESIS ABUNDANT (LEA)
TITLE 2 PROTEIN AT2G46140.1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PUTATIVE LATE EMBRYOGENESIS ABUNDANT PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: LEA PROTEIN;
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 GENE: AT2G46140;
SOURCE 6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;
SOURCE 7 OTHER_DETAILS: WHEAT GERM CELL-FREE, IN VITRO EXPRESSION
KEYWDS STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, CESG, PSI, CENTER
KEYWDS 2 FOR EUKARYOTIC STRUCTURAL GENOMICS, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS (CESG),J.SONG,R.C.TYLER,
AUTHOR 2 M.S.LEE,J.L.MARKLEY
REVDAT 5 02-MAR-22 1YYC 1 REMARK SEQADV
REVDAT 4 24-FEB-09 1YYC 1 VERSN
REVDAT 3 29-APR-08 1YYC 1 SOURCE
REVDAT 2 12-FEB-08 1YYC 1 REMARK
REVDAT 1 05-APR-05 1YYC 0
JRNL AUTH J.SONG,R.C.TYLER,M.S.LEE,J.L.MARKLEY
JRNL TITL SOLUTION STRUCTURE OF A PUTATIVE LATE EMBRYOGENESIS ABUNDANT
JRNL TITL 2 (LEA) PROTEIN AT2G46140.1
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, XPLOR-NIH 2.9.3
REMARK 3 AUTHORS : BRUKER (XWINNMR), SCHWIETERS, C.D. ET AL (XPLOR
REMARK 3 -NIH)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YYC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032066.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.2
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 10 MM BIS-TRIS, 100 MM NACL,10
REMARK 210 MM DTT, PH 7.0, 90% H2O,10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNCACB; HN(CO)
REMARK 210 CACB; HCCHTOCSY; CCONH
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 97.027.12.56, SPARKY
REMARK 210 3.72, CYANA 1.0.6
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 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: 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 OD1 ASP A 63 HZ3 LYS A 118 1.56
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 10 THR A 133 N THR A 133 CA -0.120
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 ALA A 10 -67.55 74.40
REMARK 500 1 PHE A 54 109.19 -58.61
REMARK 500 1 LYS A 55 -53.29 -127.51
REMARK 500 1 ASP A 60 -48.08 171.74
REMARK 500 1 TYR A 74 127.55 -176.33
REMARK 500 1 GLN A 82 109.66 76.30
REMARK 500 1 ALA A 90 -90.13 52.71
REMARK 500 1 THR A 93 135.89 71.87
REMARK 500 1 ASP A 101 87.60 53.23
REMARK 500 1 SER A 108 83.87 53.46
REMARK 500 1 ALA A 120 -16.84 72.19
REMARK 500 1 SER A 126 -73.43 -70.69
REMARK 500 1 MET A 128 100.03 64.15
REMARK 500 1 ASP A 130 107.93 151.85
REMARK 500 1 CYS A 132 -158.74 -99.32
REMARK 500 1 ASP A 134 89.90 70.43
REMARK 500 1 VAL A 152 -78.04 -130.15
REMARK 500 1 SER A 169 25.32 -48.41
REMARK 500 1 ARG A 171 -27.12 72.31
REMARK 500 1 ASP A 172 61.20 -113.74
REMARK 500 2 LEU A 8 -70.10 -94.17
REMARK 500 2 ALA A 10 93.38 -65.76
REMARK 500 2 PRO A 43 106.67 -53.63
REMARK 500 2 ASP A 50 -63.08 -130.22
REMARK 500 2 LYS A 55 -64.57 -130.00
REMARK 500 2 TYR A 74 108.13 178.40
REMARK 500 2 SER A 75 16.66 -50.88
REMARK 500 2 ARG A 92 163.01 81.21
REMARK 500 2 THR A 93 137.84 72.24
REMARK 500 2 ASP A 101 78.66 53.85
REMARK 500 2 SER A 126 -75.81 -82.42
REMARK 500 2 MET A 128 133.56 74.51
REMARK 500 2 ASP A 130 -0.84 67.74
REMARK 500 2 ASP A 134 82.33 65.22
REMARK 500 2 VAL A 152 -53.25 -131.94
REMARK 500 2 SER A 169 -76.48 70.81
REMARK 500 2 LEU A 170 -65.70 63.89
REMARK 500 2 ARG A 171 91.62 63.90
REMARK 500 2 ASP A 172 90.76 74.37
REMARK 500 2 PHE A 173 -35.10 -164.58
REMARK 500 3 HIS A 5 81.53 62.93
REMARK 500 3 HIS A 7 -167.00 69.81
REMARK 500 3 LEU A 8 -60.08 -91.22
REMARK 500 3 GLU A 9 -29.27 -144.12
REMARK 500 3 ASP A 50 -23.04 -157.04
REMARK 500 3 TYR A 74 130.14 170.54
REMARK 500 3 ARG A 92 -41.63 70.86
REMARK 500 3 ASP A 101 81.42 57.29
REMARK 500 3 ALA A 120 -3.90 69.90
REMARK 500 3 SER A 126 -78.84 -75.04
REMARK 500
REMARK 500 THIS ENTRY HAS 396 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 6515 RELATED DB: BMRB
REMARK 900 RELATED ID: GO.9943 RELATED DB: TARGETDB
DBREF 1YYC A 9 174 UNP O82355 O82355_ARATH 1 166
SEQADV 1YYC GLY A 1 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 2 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 3 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 4 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 5 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 6 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC HIS A 7 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC LEU A 8 UNP O82355 CLONING ARTIFACT
SEQADV 1YYC GLU A 9 UNP O82355 MET 1 CLONING ARTIFACT
SEQRES 1 A 174 GLY HIS HIS HIS HIS HIS HIS LEU GLU ALA SER ALA ASP
SEQRES 2 A 174 GLU LYS VAL VAL GLU GLU LYS ALA SER VAL ILE SER SER
SEQRES 3 A 174 LEU LEU ASP LYS ALA LYS GLY PHE PHE ALA GLU LYS LEU
SEQRES 4 A 174 ALA ASN ILE PRO THR PRO GLU ALA THR VAL ASP ASP VAL
SEQRES 5 A 174 ASP PHE LYS GLY VAL THR ARG ASP GLY VAL ASP TYR HIS
SEQRES 6 A 174 ALA LYS VAL SER VAL LYS ASN PRO TYR SER GLN SER ILE
SEQRES 7 A 174 PRO ILE CYS GLN ILE SER TYR ILE LEU LYS SER ALA THR
SEQRES 8 A 174 ARG THR ILE ALA SER GLY THR ILE PRO ASP PRO GLY SER
SEQRES 9 A 174 LEU VAL GLY SER GLY THR THR VAL LEU ASP VAL PRO VAL
SEQRES 10 A 174 LYS VAL ALA TYR SER ILE ALA VAL SER LEU MET LYS ASP
SEQRES 11 A 174 MET CYS THR ASP TRP ASP ILE ASP TYR GLN LEU ASP ILE
SEQRES 12 A 174 GLY LEU THR PHE ASP ILE PRO VAL VAL GLY ASP ILE THR
SEQRES 13 A 174 ILE PRO VAL SER THR GLN GLY GLU ILE LYS LEU PRO SER
SEQRES 14 A 174 LEU ARG ASP PHE PHE
HELIX 1 1 SER A 11 LYS A 38 1 28
HELIX 2 2 ALA A 120 LEU A 127 1 8
SHEET 1 A 3 GLU A 46 VAL A 57 0
SHEET 2 A 3 VAL A 62 ASN A 72 -1 O LYS A 67 N ASP A 51
SHEET 3 A 3 GLY A 109 VAL A 119 -1 O LEU A 113 N VAL A 68
SHEET 1 B 4 ILE A 94 ILE A 99 0
SHEET 2 B 4 ILE A 83 SER A 89 -1 N LEU A 87 O ALA A 95
SHEET 3 B 4 TYR A 139 ASP A 148 -1 O ASP A 142 N ILE A 86
SHEET 4 B 4 ASP A 154 GLN A 162 -1 O VAL A 159 N ILE A 143
SHEET 1 C 2 TRP A 135 ILE A 137 0
SHEET 2 C 2 ILE A 165 LEU A 167 -1 O LEU A 167 N TRP A 135
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