Header list of 2f09.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-NOV-05 2F09
TITLE SOLUTION STRUCTURE OF THE GENE PRODUCT OF E. COLI GENE YDHA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YDHA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12;
SOURCE 3 ORGANISM_TAXID: 83333;
SOURCE 4 STRAIN: K-12;
SOURCE 5 GENE: YDHA;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS 8 STRAND BETA-BARREL, STRUCTURAL GENOMICS, ONTARIO CENTRE FOR
KEYWDS 2 STRUCTURAL PROTEOMICS, OCSP, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR G.S.SHAW,M.J.REVINGTON,ONTARIO CENTRE FOR STRUCTURAL PROTEOMICS
AUTHOR 2 (OCSP)
REVDAT 3 09-MAR-22 2F09 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2F09 1 VERSN
REVDAT 1 13-DEC-05 2F09 0
JRNL AUTH G.S.SHAW,M.J.REVINGTON
JRNL TITL THE SOLUTION STRUCTURE OF THE ESCHERICHIA COLI GENE PRODUCT
JRNL TITL 2 YDHA.
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1B, CYANA 2.032.3, CNS 1.1
REMARK 3 AUTHORS : VARIAN INC. (VNMR), GUNTERT, P., MUMENTHALER, C.
REMARK 3 AND WUTHRICH, K. (CYANA), A.T.BRUNGER, P.D.ADAMS,
REMARK 3 G.M.CLORE, W.L.DELANO, P.GROS,R.W.GROSSE-KUNSTLEVE,
REMARK 3 J.-S.JIANG, J.KUSZEWSKI, M.NILGES,N.S.PANNU,
REMARK 3 R.J.READ, L.M.RICE, T.SIMONSON, G.L.WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2F09 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-05.
REMARK 100 THE DEPOSITION ID IS D_1000035291.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.0
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 410 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.5 MM YDHA U-15N,U-13C, 10MM
REMARK 210 SODIUM PHOSPHATE, 400 MM NACL,
REMARK 210 10 MM DITHIOTHREITOL, 0.01%
REMARK 210 SODIUM AZIDE, 1MM BENZAMIDINE,
REMARK 210 PH6.5, 90% 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 : 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, NMRVIEW 5.2.2
REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION
REMARK 210 ANGLE DYNAMICS, 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY
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 MET A -19
REMARK 465 GLY A -18
REMARK 465 SER A -17
REMARK 465 SER A -16
REMARK 465 HIS A -15
REMARK 465 HIS A -14
REMARK 465 HIS A -13
REMARK 465 HIS A -12
REMARK 465 HIS A -11
REMARK 465 HIS A -10
REMARK 465 SER A -9
REMARK 465 SER A -8
REMARK 465 GLY A -7
REMARK 465 LEU A -6
REMARK 465 VAL A -5
REMARK 465 PRO A -4
REMARK 465 ARG A -3
REMARK 465 GLY A -2
REMARK 465 SER A -1
REMARK 465 HIS 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
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 LEU A 6 -154.78 -78.32
REMARK 500 1 TYR A 8 7.82 50.82
REMARK 500 1 GLN A 9 82.59 -156.45
REMARK 500 1 LEU A 15 69.24 -101.92
REMARK 500 1 ASP A 31 -58.19 -173.90
REMARK 500 1 ASN A 32 15.20 -145.74
REMARK 500 1 ALA A 43 -44.06 -139.64
REMARK 500 1 ASP A 68 -31.99 167.41
REMARK 500 1 ASN A 74 87.62 -162.03
REMARK 500 1 ASN A 79 146.24 171.39
REMARK 500 1 PRO A 80 -149.90 -78.76
REMARK 500 2 LEU A 6 -164.48 -76.51
REMARK 500 2 LYS A 18 75.47 -108.48
REMARK 500 2 GLN A 24 56.74 -40.30
REMARK 500 2 ASP A 31 -50.86 -173.45
REMARK 500 2 ALA A 43 -77.93 -78.82
REMARK 500 2 ASP A 50 -75.36 -141.39
REMARK 500 2 ASN A 73 17.49 -146.18
REMARK 500 2 ASN A 74 81.35 -153.43
REMARK 500 2 GLN A 81 53.94 -111.17
REMARK 500 3 LEU A 6 -146.67 -85.48
REMARK 500 3 TYR A 8 -6.68 57.27
REMARK 500 3 LEU A 15 78.65 -107.12
REMARK 500 3 ASP A 31 -68.13 -167.24
REMARK 500 3 ALA A 43 -90.56 -118.98
REMARK 500 3 ASN A 79 125.33 -177.73
REMARK 500 4 LEU A 6 -155.37 -81.49
REMARK 500 4 TYR A 8 16.79 48.88
REMARK 500 4 ASP A 31 -67.28 -172.83
REMARK 500 4 SER A 42 88.95 -67.75
REMARK 500 4 SER A 44 27.95 -151.31
REMARK 500 4 LYS A 58 -72.06 -86.57
REMARK 500 4 ARG A 69 110.26 -170.10
REMARK 500 4 ASN A 74 93.23 -169.15
REMARK 500 5 LEU A 6 -148.08 -82.64
REMARK 500 5 TYR A 8 -6.26 50.94
REMARK 500 5 LEU A 15 79.52 -112.21
REMARK 500 5 ASP A 31 -53.42 -175.52
REMARK 500 5 ALA A 43 -48.85 -162.86
REMARK 500 5 ILE A 52 -61.38 -126.20
REMARK 500 5 ARG A 69 128.26 -176.67
REMARK 500 5 ASN A 79 117.24 -173.51
REMARK 500 6 LYS A 18 69.40 -102.11
REMARK 500 6 ARG A 23 86.38 -165.59
REMARK 500 6 GLN A 24 29.63 -47.16
REMARK 500 6 ASP A 31 -54.83 -176.06
REMARK 500 6 ASN A 32 27.43 -144.15
REMARK 500 6 ALA A 43 -76.17 170.72
REMARK 500 6 ASP A 50 -75.91 -101.77
REMARK 500 6 ILE A 52 -68.03 -127.52
REMARK 500
REMARK 500 THIS ENTRY HAS 168 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 4 ARG A 47 0.11 SIDE CHAIN
REMARK 500 9 ARG A 69 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2F09 A 1 82 UNP P28224 YDHA_ECOLI 28 109
SEQADV 2F09 MET A -19 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 GLY A -18 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 SER A -17 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 SER A -16 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 HIS A -15 UNP P28224 EXPRESSION TAG
SEQADV 2F09 HIS A -14 UNP P28224 EXPRESSION TAG
SEQADV 2F09 HIS A -13 UNP P28224 EXPRESSION TAG
SEQADV 2F09 HIS A -12 UNP P28224 EXPRESSION TAG
SEQADV 2F09 HIS A -11 UNP P28224 EXPRESSION TAG
SEQADV 2F09 HIS A -10 UNP P28224 EXPRESSION TAG
SEQADV 2F09 SER A -9 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 SER A -8 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 GLY A -7 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 LEU A -6 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 VAL A -5 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 PRO A -4 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 ARG A -3 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 GLY A -2 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 SER A -1 UNP P28224 CLONING ARTIFACT
SEQADV 2F09 HIS A 0 UNP P28224 CLONING ARTIFACT
SEQRES 1 A 102 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 102 LEU VAL PRO ARG GLY SER HIS MET GLN THR ASP THR LEU
SEQRES 3 A 102 GLU TYR GLN CYS ASP GLU LYS PRO LEU THR VAL LYS LEU
SEQRES 4 A 102 ASN ASN PRO ARG GLN GLU VAL SER PHE VAL TYR ASP ASN
SEQRES 5 A 102 GLN LEU LEU HIS LEU LYS GLN GLY ILE SER ALA SER GLY
SEQRES 6 A 102 ALA ARG TYR THR ASP GLY ILE TYR VAL PHE TRP SER LYS
SEQRES 7 A 102 GLY ASP GLU ALA THR VAL TYR LYS ARG ASP ARG ILE VAL
SEQRES 8 A 102 LEU ASN ASN CYS GLN LEU GLN ASN PRO GLN ARG
SHEET 1 A 7 VAL A 17 LEU A 19 0
SHEET 2 A 7 GLU A 25 VAL A 29 -1 O SER A 27 N LYS A 18
SHEET 3 A 7 LEU A 34 GLN A 39 -1 O LEU A 35 N PHE A 28
SHEET 4 A 7 ALA A 46 THR A 49 -1 O THR A 49 N LYS A 38
SHEET 5 A 7 VAL A 54 SER A 57 -1 O SER A 57 N ALA A 46
SHEET 6 A 7 ALA A 62 TYR A 65 -1 O THR A 63 N TRP A 56
SHEET 7 A 7 ILE A 70 LEU A 72 -1 O LEU A 72 N VAL A 64
SSBOND 1 CYS A 10 CYS A 75 1555 1555 2.04
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 9 2 Bytes