Header list of 1wpi.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-SEP-04 1WPI
TITLE SOLUTION NMR STRUCTURE OF PROTEIN YKR049C FROM SACCHAROMYCES
TITLE 2 CEREVISIAE. ONTARIO CENTRE FOR STRUCTURAL PROTEOMICS TARGET
TITLE 3 YST0250_1_133; NORTHEAST STRUCTURAL GENOMICS CONSORTIUM YTYST250
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL 15.6 KDA PROTEIN IN NAP1-TRK2 INTERGENIC
COMPND 3 REGION;
COMPND 4 CHAIN: A;
COMPND 5 SYNONYM: YKR049C;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 GENE: YKR049C;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)
KEYWDS STRUCTURAL GENOMICS, OCSP, NESG, PROTEIN STRUCTURE INITIATIVE, PSI-2,
KEYWDS 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE,NORTHEAST STRUCTURAL GENOMICS
AUTHOR 2 CONSORTIUM (NESG)
REVDAT 4 02-MAR-22 1WPI 1 REMARK
REVDAT 3 24-FEB-09 1WPI 1 VERSN
REVDAT 2 24-OCT-06 1WPI 1 AUTHOR JRNL KEYWDS REMARK
REVDAT 1 13-SEP-05 1WPI 0
JRNL AUTH J.W.JUNG,A.YEE,B.WU,C.H.ARROWSMITH,W.LEE
JRNL TITL SOLUTION STRUCTURE OF YKR049C, A PUTATIVE REDOX PROTEIN FROM
JRNL TITL 2 SACCHAROMYCES CEREVISIAE
JRNL REF J.BIOCHEM.MOL.BIOL. V. 38 550 2005
JRNL REFN ISSN 1225-8687
JRNL PMID 16202234
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.0.6, CYANA 1.0.6
REMARK 3 AUTHORS : GUENTERT (CYANA), GUENTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WPI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-SEP-04.
REMARK 100 THE DEPOSITION ID IS D_1000023851.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 0.35
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM YKR049C U-15M, 13C; 50MM
REMARK 210 PHOSPHATE BUFFER; 350MM NACL,
REMARK 210 1MM DTT
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; INOVA; DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2.3, XWINNMR 3.5, SPAKRY
REMARK 210 3.110
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS/CANDID
REMARK 210 METHOD
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 O LEU A 77 H LEU A 81 1.14
REMARK 500 HB3 ASP A 87 HD2 PRO A 88 1.31
REMARK 500 O LYS A 84 H ASP A 87 1.33
REMARK 500 O LEU A 94 H VAL A 98 1.52
REMARK 500 O LEU A 56 H ARG A 60 1.54
REMARK 500 HZ2 LYS A 29 O GLU A 107 1.56
REMARK 500 OD2 ASP A 112 H ASN A 115 1.56
REMARK 500 H ASP A 112 O LEU A 117 1.60
REMARK 500 O LEU A 77 N LEU A 81 2.09
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 SER A 2 87.21 62.27
REMARK 500 1 THR A 6 89.02 34.08
REMARK 500 1 ARG A 9 88.79 57.44
REMARK 500 1 PRO A 11 -161.87 -74.98
REMARK 500 1 ARG A 12 -53.71 -147.31
REMARK 500 1 ASN A 19 57.03 -152.40
REMARK 500 1 ASP A 20 158.62 57.54
REMARK 500 1 ILE A 21 -93.92 -173.86
REMARK 500 1 ALA A 22 -148.17 -132.18
REMARK 500 1 SER A 23 -84.24 -29.51
REMARK 500 1 LYS A 29 -81.56 -59.31
REMARK 500 1 LYS A 35 6.89 -62.99
REMARK 500 1 ASP A 37 -144.29 -60.17
REMARK 500 1 HIS A 40 -170.67 151.74
REMARK 500 1 ARG A 41 -44.08 77.29
REMARK 500 1 GLN A 57 -33.22 -38.06
REMARK 500 1 SER A 62 49.46 -84.31
REMARK 500 1 CYS A 63 144.29 -174.27
REMARK 500 1 LYS A 82 -101.35 -118.81
REMARK 500 1 LYS A 84 -139.88 -62.05
REMARK 500 1 HIS A 85 -34.49 -27.46
REMARK 500 1 ASP A 87 -157.79 -39.06
REMARK 500 1 MET A 92 -97.73 -27.52
REMARK 500 1 GLN A 99 -25.73 -39.64
REMARK 500 1 ARG A 100 -17.76 156.31
REMARK 500 1 LEU A 102 -77.58 0.38
REMARK 500 1 LYS A 106 47.62 -152.09
REMARK 500 1 LYS A 116 38.75 71.60
REMARK 500 1 ASN A 120 90.48 -69.66
REMARK 500 1 GLU A 121 148.10 168.06
REMARK 500 1 TYR A 128 -72.69 -82.93
REMARK 500 1 ILE A 130 -164.43 -61.52
REMARK 500 1 ARG A 132 24.20 -151.06
REMARK 500 2 PHE A 3 90.51 -165.35
REMARK 500 2 THR A 6 95.96 44.27
REMARK 500 2 LEU A 7 142.29 -177.38
REMARK 500 2 ARG A 9 108.14 55.32
REMARK 500 2 ASN A 19 62.11 -155.92
REMARK 500 2 ASP A 20 160.60 56.05
REMARK 500 2 ILE A 21 -88.81 -175.15
REMARK 500 2 ALA A 22 -132.63 -139.11
REMARK 500 2 SER A 23 -87.11 -43.01
REMARK 500 2 LYS A 29 -85.68 -47.88
REMARK 500 2 LYS A 35 -6.65 -58.83
REMARK 500 2 ASP A 37 93.68 -169.36
REMARK 500 2 SER A 39 -98.80 -168.68
REMARK 500 2 HIS A 40 71.11 162.05
REMARK 500 2 GLN A 57 -30.67 -35.90
REMARK 500 2 LYS A 76 70.86 51.66
REMARK 500 2 LEU A 81 1.07 -65.26
REMARK 500
REMARK 500 THIS ENTRY HAS 624 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: YTYST250 RELATED DB: TARGETDB
DBREF 1WPI A 1 133 UNP P36141 YK29_YEAST 1 133
SEQRES 1 A 133 MET SER PHE TRP LYS THR LEU GLN ARG GLN PRO ARG THR
SEQRES 2 A 133 ILE SER LEU PHE THR ASN ASP ILE ALA SER ASN ILE LYS
SEQRES 3 A 133 SER GLN LYS CYS LEU GLN LEU LEU LYS GLY ASP VAL SER
SEQRES 4 A 133 HIS ARG PHE ASP VAL GLU ILE ALA ASN ARG PHE PRO THR
SEQRES 5 A 133 TRP ASP GLN LEU GLN TYR MET ARG THR SER CYS PRO GLN
SEQRES 6 A 133 GLY PRO VAL SER LEU GLN ARG GLN ILE PRO LYS LEU ASP
SEQRES 7 A 133 SER VAL LEU LYS TYR LYS HIS THR ASP PRO THR PHE GLY
SEQRES 8 A 133 MET ASP LEU GLN LYS CYS VAL GLN ARG GLY LEU TRP ASN
SEQRES 9 A 133 PRO LYS GLU ALA LEU TRP VAL ASP TRP GLU ASN LYS LEU
SEQRES 10 A 133 VAL GLY ASN GLU PRO ALA ASP ILE ASP LYS TYR ILE ILE
SEQRES 11 A 133 GLN ARG LYS
HELIX 1 1 THR A 52 SER A 62 1 11
HELIX 2 2 GLN A 65 ILE A 74 1 10
HELIX 3 3 LYS A 76 LEU A 81 1 6
HELIX 4 4 LEU A 94 GLN A 99 1 6
HELIX 5 5 PRO A 122 ILE A 130 1 9
SHEET 1 A 4 ASP A 43 ASN A 48 0
SHEET 2 A 4 THR A 13 THR A 18 1 N LEU A 16 O ALA A 47
SHEET 3 A 4 LEU A 109 ASP A 112 -1 O LEU A 109 N PHE A 17
SHEET 4 A 4 VAL A 118 ASN A 120 -1 O GLY A 119 N TRP A 110
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