Header list of 1djf.pdb file
Complete list - 16 202 Bytes
HEADER DE NOVO PROTEIN 03-DEC-99 1DJF TITLE NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL BASIC PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GLN-ALA-PRO-ALA-TYR-LYS-LYS-ALA-ALA-LYS-LYS-LEU-ALA-GLU- COMPND 3 SER; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: HUMAN PLATELET FACTOR 4, SEGMENT 56-70; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: CHEMICALLY SYNTHESIZED SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS MODEL PEPTIDE WAS CHEMICALLY SYNTHESIZED. KEYWDS HYDROPHILIC AMPHIPATHIC BASIC HELIX PEPTIDE MODEL, DE NOVO PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.MONTSERRET,M.J.MCLEISH,A.BOCKMANN,C.GEOURJON,F.PENIN REVDAT 4 16-FEB-22 1DJF 1 REMARK REVDAT 3 24-FEB-09 1DJF 1 VERSN REVDAT 2 16-AUG-00 1DJF 1 JRNL REVDAT 1 10-DEC-99 1DJF 0 JRNL AUTH R.MONTSERRET,M.J.MCLEISH,A.BOCKMANN,C.GEOURJON,F.PENIN JRNL TITL INVOLVEMENT OF ELECTROSTATIC INTERACTIONS IN THE MECHANISM JRNL TITL 2 OF PEPTIDE FOLDING INDUCED BY SODIUM DODECYL SULFATE JRNL TITL 3 BINDING. JRNL REF BIOCHEMISTRY V. 39 8362 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10913242 JRNL DOI 10.1021/BI000208X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1, X-PLOR 3.1 REMARK 3 AUTHORS : VARIAN INC. (VNMR), BRUNGER, A.T. (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 136 RESTRAINTS, 126 OF WHICH BEING NOE- DERIVED DISTANCE REMARK 3 CONSTRAINTS AND 10 DIHEDRAL ANGLE RESTRAINTS. REMARK 4 REMARK 4 1DJF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-99. REMARK 100 THE DEPOSITION ID IS D_1000010131. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 10MM SODIUM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10MM SODIUM PHOSPHATE BUFFER PH REMARK 210 6.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; TOCSY; 1H REMARK 210 -13C-HSQC; 1H-13C-HSQC-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINT VIOLATION AND LOW REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR AND 1H-13C HETERONUCLEAR METHODS. 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RHP RELATED DB: PDB REMARK 900 HUMAN PLATELET FACTOR 4, SEGMENT 56-70. DBREF 1DJF A 1 15 PDB 1DJF 1DJF 1 15 SEQRES 1 A 15 GLN ALA PRO ALA TYR LYS LYS ALA ALA LYS LYS LEU ALA SEQRES 2 A 15 GLU SER HELIX 1 1 PRO A 3 SER A 15 1 13 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
Complete list - 16 202 Bytes