Header list of 1hxv.pdb file
Complete list - b 23 2 Bytes
HEADER CHAPERONE 17-JAN-01 1HXV
TITLE PPIASE DOMAIN OF THE MYCOPLASMA GENITALIUM TRIGGER FACTOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRIGGER FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PPIASE DOMAIN (RESIDUES 150-250);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MYCOPLASMA GENITALIUM;
SOURCE 3 ORGANISM_TAXID: 2097;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PQE30
KEYWDS FKBP FOLD, PPIASE, CHAPERONE
EXPDTA SOLUTION NMR
NUMMDL 12
AUTHOR M.VOGTHERR,T.N.PARAC,M.MAURER,A.PAHL,K.FIEBIG
REVDAT 4 23-FEB-22 1HXV 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1HXV 1 VERSN
REVDAT 2 01-APR-03 1HXV 1 JRNL
REVDAT 1 29-MAY-02 1HXV 0
JRNL AUTH M.VOGTHERR,D.M.JACOBS,T.N.PARAC,M.MAURER,A.PAHL,K.SAXENA,
JRNL AUTH 2 H.RUTERJANS,C.GRIESINGER,K.M.FIEBIG
JRNL TITL NMR SOLUTION STRUCTURE AND DYNAMICS OF THE PEPTIDYL-PROLYL
JRNL TITL 2 CIS-TRANS ISOMERASE DOMAIN OF THE TRIGGER FACTOR FROM
JRNL TITL 3 MYCOPLASMA GENITALIUM COMPARED TO FK506-BINDING PROTEIN.
JRNL REF J.MOL.BIOL. V. 318 1097 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12054805
JRNL DOI 10.1016/S0022-2836(02)00112-2
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DIPOCOUP 1.0
REMARK 3 AUTHORS : MEILER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1HXV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JAN-01.
REMARK 100 THE DEPOSITION ID IS D_1000012669.
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 : 50 MM SODIUM PHOSPHATE
REMARK 210 PRESSURE : ATMOSPHERIC ATM
REMARK 210 SAMPLE CONTENTS : 2 MM U-15N; 2 MM U-15N U-13C; 2
REMARK 210 MM UNLABELED
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; HNHA;
REMARK 210 3D_13C-SEPARATED_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3.14, CNS
REMARK 210 1.0, DIPOCOUP 1.0
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 160
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 12
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: PARTIALLY ALIGNED SAMPLES:
REMARK 210 4 % C12E5/N-HEXANOL, RATIO=0.96 (RUECKERT AND OTTING,
REMARK 210 JACS 122, 7793-7797 (2000))
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 1-12
REMARK 465 RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 ARG A 2
REMARK 465 GLY A 3
REMARK 465 SER A 4
REMARK 465 HIS A 5
REMARK 465 HIS A 6
REMARK 465 HIS A 7
REMARK 465 HIS A 8
REMARK 465 HIS A 9
REMARK 465 HIS A 10
REMARK 465 GLY A 11
REMARK 465 SER A 12
REMARK 465 GLU A 13
REMARK 465 LYS A 14
REMARK 465 LEU A 15
REMARK 465 ALA A 16
REMARK 465 LYS A 17
REMARK 465 THR A 18
REMARK 465 LYS A 19
REMARK 465 SER A 20
REMARK 465 THR A 21
REMARK 465 MET A 22
REMARK 465 VAL A 23
REMARK 465 ASP A 24
REMARK 465 VAL A 25
REMARK 465 SER A 26
REMARK 465 ASP A 27
REMARK 465 LYS A 28
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 ASN A 32 -175.76 -49.17
REMARK 500 1 ASP A 45 76.18 53.27
REMARK 500 1 ASN A 46 -41.05 85.18
REMARK 500 1 GLN A 55 -137.87 -90.74
REMARK 500 1 ASN A 56 75.60 -59.44
REMARK 500 1 GLU A 58 86.27 -65.98
REMARK 500 1 PHE A 70 -78.45 -80.97
REMARK 500 1 LYS A 78 -157.74 -75.38
REMARK 500 1 LEU A 98 27.32 -79.97
REMARK 500 1 SER A 100 58.07 -141.30
REMARK 500 1 LEU A 109 76.13 -51.25
REMARK 500 2 ALA A 31 -168.44 -78.99
REMARK 500 2 ASN A 32 -174.76 -49.26
REMARK 500 2 ASP A 45 75.18 55.07
REMARK 500 2 ASN A 46 -34.95 86.25
REMARK 500 2 SER A 51 -80.76 -52.17
REMARK 500 2 GLN A 55 -137.55 -91.43
REMARK 500 2 ASN A 56 76.25 -59.36
REMARK 500 2 GLU A 58 85.26 -65.76
REMARK 500 2 PHE A 70 -79.89 -79.24
REMARK 500 2 LYS A 78 -162.90 -72.16
REMARK 500 2 LEU A 98 28.82 -79.85
REMARK 500 2 SER A 100 56.52 -141.35
REMARK 500 2 LEU A 109 76.43 -50.14
REMARK 500 3 ASN A 32 -174.23 -48.96
REMARK 500 3 ASP A 45 78.32 52.94
REMARK 500 3 ASN A 46 -39.56 85.70
REMARK 500 3 SER A 51 -80.95 -52.50
REMARK 500 3 GLN A 55 -135.22 -90.28
REMARK 500 3 ASN A 56 77.08 -59.51
REMARK 500 3 GLU A 58 88.57 -60.14
REMARK 500 3 PHE A 70 -75.93 -81.89
REMARK 500 3 LYS A 78 -157.40 -73.48
REMARK 500 3 SER A 100 54.91 -141.22
REMARK 500 3 LEU A 109 71.48 -51.64
REMARK 500 4 ALA A 31 -169.21 -79.65
REMARK 500 4 ASN A 32 -173.55 -49.75
REMARK 500 4 ASP A 45 76.49 54.58
REMARK 500 4 ASN A 46 -35.41 86.56
REMARK 500 4 SER A 51 -80.16 -50.10
REMARK 500 4 GLN A 55 -136.13 -93.55
REMARK 500 4 ASN A 56 76.01 -59.57
REMARK 500 4 GLU A 58 83.80 -65.72
REMARK 500 4 PHE A 70 -71.37 -80.40
REMARK 500 4 LYS A 78 -164.97 -73.85
REMARK 500 4 LEU A 98 26.25 -79.75
REMARK 500 4 LEU A 109 76.69 -47.66
REMARK 500 5 ALA A 31 -164.21 -79.87
REMARK 500 5 ASN A 32 -171.43 -51.24
REMARK 500 5 ASP A 45 77.26 53.71
REMARK 500
REMARK 500 THIS ENTRY HAS 138 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4953 RELATED DB: BMRB
REMARK 900 4953 IS THE BMRB ENTRY CORRESPONDING TO THE NMR DATA FOR THIS
REMARK 900 PROTEIN
DBREF 1HXV A 13 113 UNP P47480 TIG_MYCGE 150 250
SEQADV 1HXV MET A 1 UNP P47480 EXPRESSION TAG
SEQADV 1HXV ARG A 2 UNP P47480 EXPRESSION TAG
SEQADV 1HXV GLY A 3 UNP P47480 EXPRESSION TAG
SEQADV 1HXV SER A 4 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 5 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 6 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 7 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 8 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 9 UNP P47480 EXPRESSION TAG
SEQADV 1HXV HIS A 10 UNP P47480 EXPRESSION TAG
SEQADV 1HXV GLY A 11 UNP P47480 EXPRESSION TAG
SEQADV 1HXV SER A 12 UNP P47480 EXPRESSION TAG
SEQRES 1 A 113 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER GLU
SEQRES 2 A 113 LYS LEU ALA LYS THR LYS SER THR MET VAL ASP VAL SER
SEQRES 3 A 113 ASP LYS LYS LEU ALA ASN GLY ASP ILE ALA ILE ILE ASP
SEQRES 4 A 113 PHE THR GLY ILE VAL ASP ASN LYS LYS LEU ALA SER ALA
SEQRES 5 A 113 SER ALA GLN ASN TYR GLU LEU THR ILE GLY SER ASN SER
SEQRES 6 A 113 PHE ILE LYS GLY PHE GLU THR GLY LEU ILE ALA MET LYS
SEQRES 7 A 113 VAL ASN GLN LYS LYS THR LEU ALA LEU THR PHE PRO SER
SEQRES 8 A 113 ASP TYR HIS VAL LYS GLU LEU GLN SER LYS PRO VAL THR
SEQRES 9 A 113 PHE GLU VAL VAL LEU LYS ALA ILE LYS
HELIX 1 1 GLY A 69 ALA A 76 1 8
HELIX 2 2 LYS A 96 SER A 100 5 5
SHEET 1 A 4 GLN A 81 LEU A 85 0
SHEET 2 A 4 THR A 104 LEU A 109 -1 N PHE A 105 O LEU A 85
SHEET 3 A 4 ASP A 34 VAL A 44 -1 O ASP A 39 N VAL A 108
SHEET 4 A 4 LYS A 47 LYS A 48 -1 O LYS A 47 N VAL A 44
SHEET 1 B 4 GLN A 81 LEU A 85 0
SHEET 2 B 4 THR A 104 LEU A 109 -1 N PHE A 105 O LEU A 85
SHEET 3 B 4 ASP A 34 VAL A 44 -1 O ASP A 39 N VAL A 108
SHEET 4 B 4 ASN A 56 ILE A 61 -1 O TYR A 57 N ILE A 38
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 - b 23 2 Bytes