Header list of 1wvk.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-DEC-04 1WVK
TITLE NMR SOLUTION STRUCTURE OF THE PARTIALLY DISORDERED PROTEIN AT2G23090
TITLE 2 FROM ARABIDOPSIS THALIANA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AT2G23090/F21P24.15;
COMPND 3 CHAIN: A;
COMPND 4 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: AT2G23090;
SOURCE 6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEU-HIS;
SOURCE 9 OTHER_DETAILS: WHEAT GERM CELL-FREE, IN VITRO EXPRESSION
KEYWDS STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, PSI, CELL FREE,
KEYWDS 2 CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS, CESG, AT2G23090.1,
KEYWDS 3 UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR R.C.TYLER,M.TONELLI,M.LEE,J.L.MARKLEY,CENTER FOR EUKARYOTIC
AUTHOR 2 STRUCTURAL GENOMICS (CESG)
REVDAT 6 02-MAR-22 1WVK 1 REMARK SEQADV
REVDAT 5 24-FEB-09 1WVK 1 VERSN
REVDAT 4 29-APR-08 1WVK 1 SOURCE
REVDAT 3 12-FEB-08 1WVK 1 REMARK
REVDAT 2 14-NOV-06 1WVK 1 REMARK
REVDAT 1 04-JAN-05 1WVK 0
JRNL AUTH R.C.TYLER,M.TONELLI,M.LEE,J.L.MARKLEY
JRNL TITL NMR SOLUTION STRUCTURE OF THE PARTIALLY DISORDERED PROTEIN
JRNL TITL 2 AT2G23090 FROM ARABIDOPSIS THALIANA
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA 1.2, ARIA 1.2
REMARK 3 AUTHORS : NILGES, M. (ARIA), NILGES, M. (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WVK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-DEC-04.
REMARK 100 THE DEPOSITION ID IS D_1000024052.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 5.8
REMARK 210 IONIC STRENGTH : 100MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM AT2G23090 U-13C, U-15N; 10MM
REMARK 210 BIS-TRIS BUFFER, 100MM NACL, 90%
REMARK 210 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 : 900 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 DYNAMICS, MATRIX RELAXATION,
REMARK 210 TORSION ANGLE DYNAMICS, WATER
REMARK 210 REFINEMENT
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 15
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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: 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 11 PHE A 81 CZ PHE A 81 CE2 0.114
REMARK 500 14 PHE A 81 CE1 PHE A 81 CZ 0.151
REMARK 500 14 PHE A 81 CZ PHE A 81 CE2 -0.143
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 HIS A 2 16.43 -153.23
REMARK 500 1 HIS A 3 -41.33 -174.70
REMARK 500 1 HIS A 5 -70.81 -62.98
REMARK 500 1 LEU A 8 97.78 64.24
REMARK 500 1 ASN A 13 97.63 60.87
REMARK 500 1 LEU A 25 114.01 -178.04
REMARK 500 1 LYS A 27 -85.19 64.29
REMARK 500 1 ALA A 28 -56.65 164.12
REMARK 500 1 ALA A 31 -66.49 -135.80
REMARK 500 1 LYS A 33 -34.64 -155.66
REMARK 500 1 SER A 35 88.57 69.85
REMARK 500 1 LEU A 37 -3.81 69.73
REMARK 500 1 MET A 44 79.10 67.71
REMARK 500 1 SER A 45 -87.33 -71.95
REMARK 500 1 CYS A 51 -82.01 -161.37
REMARK 500 1 MET A 52 22.10 -164.38
REMARK 500 1 SER A 60 -81.38 -71.36
REMARK 500 1 GLU A 61 -36.13 178.99
REMARK 500 1 LYS A 71 -84.57 -132.58
REMARK 500 1 LYS A 74 20.41 -165.21
REMARK 500 1 ALA A 75 -82.30 64.07
REMARK 500 1 ASP A 76 -88.43 53.78
REMARK 500 1 PHE A 81 83.97 -155.58
REMARK 500 1 PRO A 82 3.44 -63.19
REMARK 500 2 LEU A 8 -68.31 73.85
REMARK 500 2 ASN A 13 147.25 72.63
REMARK 500 2 ALA A 14 -74.35 -169.91
REMARK 500 2 LYS A 16 -10.97 68.04
REMARK 500 2 SER A 17 31.82 -77.86
REMARK 500 2 ASN A 24 -72.65 -109.55
REMARK 500 2 ALA A 28 -54.80 -127.74
REMARK 500 2 ALA A 31 -69.41 -155.85
REMARK 500 2 SER A 35 -166.56 59.16
REMARK 500 2 GLN A 36 -33.47 -177.38
REMARK 500 2 ALA A 39 -82.14 70.35
REMARK 500 2 LYS A 42 102.21 67.73
REMARK 500 2 SER A 45 -96.78 56.16
REMARK 500 2 CYS A 51 -77.20 -169.26
REMARK 500 2 MET A 52 32.28 -169.41
REMARK 500 2 LYS A 71 -81.01 -118.27
REMARK 500 2 ASP A 76 -76.79 -115.12
REMARK 500 2 PHE A 81 89.32 -167.85
REMARK 500 2 PRO A 82 3.91 -63.91
REMARK 500 3 LEU A 8 153.93 72.84
REMARK 500 3 ASN A 13 -170.65 67.06
REMARK 500 3 ALA A 14 -103.09 -167.05
REMARK 500 3 GLN A 15 -72.25 -107.97
REMARK 500 3 MET A 19 -28.82 -160.91
REMARK 500 3 LYS A 23 74.58 45.81
REMARK 500 3 LEU A 25 -79.60 -135.29
REMARK 500
REMARK 500 THIS ENTRY HAS 309 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: GO.7474 RELATED DB: TARGETDB
DBREF 1WVK A 10 86 UNP O64818 Y2309_ARATH 2 78
SEQADV 1WVK GLY A 1 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 2 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 3 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 4 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 5 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 6 UNP O64818 EXPRESSION TAG
SEQADV 1WVK HIS A 7 UNP O64818 EXPRESSION TAG
SEQADV 1WVK LEU A 8 UNP O64818 EXPRESSION TAG
SEQADV 1WVK GLU A 9 UNP O64818 EXPRESSION TAG
SEQRES 1 A 86 GLY HIS HIS HIS HIS HIS HIS LEU GLU GLY GLY GLY ASN
SEQRES 2 A 86 ALA GLN LYS SER ALA MET ALA ARG ALA LYS ASN LEU GLU
SEQRES 3 A 86 LYS ALA LYS ALA ALA GLY LYS GLY SER GLN LEU GLU ALA
SEQRES 4 A 86 ASN LYS LYS ALA MET SER ILE GLN CYS LYS VAL CYS MET
SEQRES 5 A 86 GLN THR PHE ILE CYS THR THR SER GLU VAL LYS CYS ARG
SEQRES 6 A 86 GLU HIS ALA GLU ALA LYS HIS PRO LYS ALA ASP VAL VAL
SEQRES 7 A 86 ALA CYS PHE PRO HIS LEU LYS LYS
HELIX 1 1 ALA A 14 ALA A 18 5 5
HELIX 2 2 GLU A 61 ALA A 70 1 10
HELIX 3 3 ALA A 75 ALA A 79 5 5
HELIX 4 4 PHE A 81 LYS A 85 5 5
SHEET 1 A 2 ILE A 46 CYS A 48 0
SHEET 2 A 2 GLN A 53 PHE A 55 -1 O PHE A 55 N ILE A 46
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