Header list of 1yx0.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-FEB-05 1YX0
TITLE SOLUTION STRUCTURE OF BACILLUS SUBTILIS PROTEIN YSNE: THE NORTHEAST
TITLE 2 STRUCTURAL GENOMICS CONSORTIUM TARGET SR220
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YSNE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS STR. 168;
SOURCE 3 ORGANISM_TAXID: 224308;
SOURCE 4 STRAIN: SUBSP. SUBTILIS STR. 168;
SOURCE 5 GENE: YSNE;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS NESG, GFT NMR, STRUCTRAL GENOMICS, SR220, STRUCTURAL GENOMICS, PSI,
KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS
KEYWDS 3 CONSORTIUM, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR G.LIU,L.MA,Y.SHEN,R.XIAO,T.ACTON,G.T.MONTELIONE,T.SZYPERSKI,NORTHEAST
AUTHOR 2 STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 3 02-MAR-22 1YX0 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1YX0 1 VERSN
REVDAT 1 29-MAR-05 1YX0 0
JRNL AUTH G.LIU,L.MA,Y.SHEN,R.XIAO,T.ACTON,G.T.MONTELIONE,T.SZYPERSKI
JRNL TITL SOLUTION STRUCTURE OF BACILLUS SUBTILIS PROTEIN YSNE
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT, P. (DYANA), GUENTERT (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YX0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032018.
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 : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : NMR BUFFER 6.5 -- 5% D2O, 0.02%
REMARK 210 NAN3, 10MM DTT, 5MM CACL2, 100MM
REMARK 210 NACL, 20MM MES, PH 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : GFT (4,3)D HNNCABCA; GFT (4,3)D
REMARK 210 CABCA(CO)NHN; GFT (4,3)D
REMARK 210 HABCAB(CO)NHN; GFT (4,3) HCCH;
REMARK 210 SIMULTANEOUS HETERONUCLEAR
REMARK 210 RESOLVED [1H,1H]-NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2.3, XEASY 1.3.1.3
REMARK 210 METHOD USED : DISTANCE GEOMETRY 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: THIS STRUCTURE WAS DETERMINED USING GFT NMR TECHNIQUES.
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 LEU A 152
REMARK 465 GLU A 153
REMARK 465 HIS A 154
REMARK 465 HIS A 155
REMARK 465 HIS A 156
REMARK 465 HIS A 157
REMARK 465 HIS A 158
REMARK 465 HIS A 159
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 GLY A 71 H SER A 108 1.52
REMARK 500 O ALA A 88 H LEU A 92 1.53
REMARK 500 O GLN A 130 H THR A 148 1.56
REMARK 500 O LYS A 4 H SER A 50 1.56
REMARK 500 O ARG A 11 H SER A 15 1.57
REMARK 500 O HIS A 94 H GLU A 98 1.57
REMARK 500 O ALA A 51 H ALA A 58 1.58
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 2 109.05 -164.48
REMARK 500 1 LEU A 8 75.23 43.02
REMARK 500 1 GLU A 19 105.76 -177.91
REMARK 500 1 MET A 27 117.29 -160.31
REMARK 500 1 GLU A 31 -67.61 -173.21
REMARK 500 1 SER A 32 86.96 -156.39
REMARK 500 1 ILE A 33 42.81 -107.04
REMARK 500 1 HIS A 34 70.20 -162.58
REMARK 500 1 LEU A 36 -62.20 -140.78
REMARK 500 1 LYS A 40 -70.98 -130.53
REMARK 500 1 GLU A 45 46.61 39.09
REMARK 500 1 GLU A 53 76.82 -111.34
REMARK 500 1 LEU A 66 -67.27 -126.27
REMARK 500 1 ARG A 69 35.22 -140.21
REMARK 500 1 LYS A 74 65.00 -150.24
REMARK 500 1 SER A 75 136.36 165.72
REMARK 500 1 MET A 76 130.44 174.97
REMARK 500 1 SER A 79 -68.19 80.31
REMARK 500 1 ALA A 80 -155.38 56.69
REMARK 500 1 HIS A 82 72.63 172.48
REMARK 500 1 LYS A 85 -65.60 178.26
REMARK 500 1 THR A 111 -167.53 -126.27
REMARK 500 1 SER A 113 80.32 -179.19
REMARK 500 1 CYS A 132 -168.23 -163.15
REMARK 500 1 PHE A 135 -88.14 -161.43
REMARK 500 1 ALA A 136 -156.26 39.79
REMARK 500 1 GLU A 140 170.72 -45.56
REMARK 500 2 HIS A 2 108.64 -165.08
REMARK 500 2 LEU A 8 -77.31 65.58
REMARK 500 2 THR A 9 137.86 -39.69
REMARK 500 2 GLU A 19 85.50 68.47
REMARK 500 2 PRO A 30 -164.92 -75.00
REMARK 500 2 SER A 32 174.89 58.20
REMARK 500 2 HIS A 34 101.73 179.08
REMARK 500 2 ALA A 35 -148.71 -128.03
REMARK 500 2 LEU A 36 -117.91 -147.64
REMARK 500 2 LYS A 40 -76.38 -77.09
REMARK 500 2 LEU A 66 -86.16 -138.60
REMARK 500 2 ARG A 69 21.95 -146.45
REMARK 500 2 SER A 75 113.53 -168.36
REMARK 500 2 SER A 79 86.14 61.55
REMARK 500 2 ALA A 80 -72.69 -90.01
REMARK 500 2 SER A 81 36.11 -155.15
REMARK 500 2 HIS A 82 102.75 71.73
REMARK 500 2 LYS A 85 -62.73 -179.85
REMARK 500 2 PHE A 117 41.70 -107.19
REMARK 500 2 GLU A 133 151.91 -43.93
REMARK 500 2 ALA A 136 172.83 67.69
REMARK 500 2 GLU A 140 163.94 -42.21
REMARK 500 2 ASP A 141 172.30 178.51
REMARK 500
REMARK 500 THIS ENTRY HAS 563 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: SR220 RELATED DB: TARGETDB
DBREF 1YX0 A 1 151 GB 16079885 NP_390711 1 151
SEQADV 1YX0 LEU A 152 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 GLU A 153 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 154 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 155 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 156 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 157 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 158 GB 16079885 CLONING ARTIFACT
SEQADV 1YX0 HIS A 159 GB 16079885 CLONING ARTIFACT
SEQRES 1 A 159 MET HIS ILE LYS ILE ASP ASP LEU THR GLY ARG GLN VAL
SEQRES 2 A 159 VAL SER LEU VAL ASN GLU HIS LEU HIS SER MET THR LEU
SEQRES 3 A 159 MET SER PRO PRO GLU SER ILE HIS ALA LEU GLY LEU GLU
SEQRES 4 A 159 LYS LEU ARG GLY PRO GLU ILE THR PHE TRP SER ALA TRP
SEQRES 5 A 159 GLU GLY ASP GLU LEU ALA GLY CYS GLY ALA LEU LYS GLU
SEQRES 6 A 159 LEU ASP THR ARG HIS GLY GLU ILE LYS SER MET ARG THR
SEQRES 7 A 159 SER ALA SER HIS LEU ARG LYS GLY VAL ALA LYS GLN VAL
SEQRES 8 A 159 LEU GLN HIS ILE ILE GLU GLU ALA GLU LYS ARG GLY TYR
SEQRES 9 A 159 GLU ARG LEU SER LEU GLU THR GLY SER MET ALA SER PHE
SEQRES 10 A 159 GLU PRO ALA ARG LYS LEU TYR GLU SER PHE GLY PHE GLN
SEQRES 11 A 159 TYR CYS GLU PRO PHE ALA ASP TYR GLY GLU ASP PRO ASN
SEQRES 12 A 159 SER VAL PHE MET THR LYS LYS LEU LEU GLU HIS HIS HIS
SEQRES 13 A 159 HIS HIS HIS
HELIX 1 1 GLY A 10 HIS A 20 1 11
HELIX 2 2 GLY A 37 ARG A 42 1 6
HELIX 3 3 GLY A 86 GLY A 103 1 18
HELIX 4 4 SER A 116 SER A 126 1 11
SHEET 1 A 5 ILE A 3 ASP A 6 0
SHEET 2 A 5 THR A 47 TRP A 52 -1 O SER A 50 N LYS A 4
SHEET 3 A 5 LEU A 57 ASP A 67 -1 O ALA A 58 N ALA A 51
SHEET 4 A 5 HIS A 70 GLU A 72 -1 O HIS A 70 N ASP A 67
SHEET 5 A 5 LEU A 107 SER A 108 1 O SER A 108 N GLY A 71
SHEET 1 B 2 PHE A 129 TYR A 131 0
SHEET 2 B 2 MET A 147 LYS A 149 -1 O THR A 148 N GLN A 130
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