Header list of 1brz.pdb file
Complete list - c 25 2 Bytes
HEADER SWEET PROTEIN 12-MAR-98 1BRZ TITLE SOLUTION STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, NMR, 43 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: BRAZZEIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA; SOURCE 3 ORGANISM_TAXID: 43545; SOURCE 4 ORGAN: FRUIT; SOURCE 5 TISSUE: PULP SURROUNDING SEEDS; SOURCE 6 OTHER_DETAILS: EXTRACTED FROM FRUIT GROWN IN THE WILD KEYWDS SWEET PROTEIN, CYSTEINE-STABILIZED ALPHA-BETA EXPDTA SOLUTION NMR NUMMDL 43 AUTHOR J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING,G.HELLEKANT,J.L.MARKLEY REVDAT 3 25-DEC-19 1BRZ 1 REMARK SEQRES LINK REVDAT 2 24-FEB-09 1BRZ 1 VERSN REVDAT 1 01-JUL-98 1BRZ 0 JRNL AUTH J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING,G.HELLEKANT, JRNL AUTH 2 J.L.MARKLEY JRNL TITL SOLUTION STRUCTURE OF THE THERMOSTABLE SWEET-TASTING PROTEIN JRNL TITL 2 BRAZZEIN. JRNL REF NAT.STRUCT.BIOL. V. 5 427 1998 JRNL REFN ISSN 1072-8368 JRNL PMID 9628478 JRNL DOI 10.1038/NSB0698-427 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.E.CALDWELL,F.ABILDGAARD,D.MING,G.HELLEKANT,J.L.MARKLEY REMARK 1 TITL COMPLETE 1H AND PARTIAL 13C RESONANCE ASSIGNMENTS AT 37 AND REMARK 1 TITL 2 22 DEGREES C FOR BRAZZEIN, AN INTENSELY SWEET PROTEIN REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH D.MING,G.HELLEKANT REMARK 1 TITL BRAZZEIN, A NEW HIGH-POTENCY THERMOSTABLE SWEET PROTEIN FROM REMARK 1 TITL 2 PENTADIPLANDRA BRAZZEANA B REMARK 1 REF FEBS LETT. V. 355 106 1994 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE. REFINED USING FOUR CYCLES OF SIMULATED REMARK 3 ANNEALING REFINEMENT IN X-PLOR. REMARK 4 REMARK 4 1BRZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000172044. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; E.COSY; DQ; DQF COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : AM600; DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DYNAMICAL SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 43 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 DBREF 1BRZ A 2 54 UNP P56552 BRAZ_PENBA 2 54 SEQRES 1 A 54 PCA ASP LYS CYS LYS LYS VAL TYR GLU ASN TYR PRO VAL SEQRES 2 A 54 SER LYS CYS GLN LEU ALA ASN GLN CYS ASN TYR ASP CYS SEQRES 3 A 54 LYS LEU ASP LYS HIS ALA ARG SER GLY GLU CYS PHE TYR SEQRES 4 A 54 ASP GLU LYS ARG ASN LEU GLN CYS ILE CYS ASP TYR CYS SEQRES 5 A 54 GLU TYR MODRES 1BRZ PCA A 1 GLN PYROGLUTAMIC ACID HET PCA A 1 14 HETNAM PCA PYROGLUTAMIC ACID FORMUL 1 PCA C5 H7 N O3 HELIX 1 H1 GLN A 21 ASP A 29 1 9 SHEET 1 S1 3 LYS A 5 VAL A 7 0 SHEET 2 S1 3 ASN A 44 ASP A 50 -1 N CYS A 49 O LYS A 6 SHEET 3 S1 3 SER A 34 TYR A 39 -1 N SER A 34 O ASP A 50 SSBOND 1 CYS A 4 CYS A 52 1555 1555 2.03 SSBOND 2 CYS A 16 CYS A 37 1555 1555 2.03 SSBOND 3 CYS A 22 CYS A 47 1555 1555 2.03 SSBOND 4 CYS A 26 CYS A 49 1555 1555 2.03 LINK C PCA A 1 N ASP A 2 1555 1555 1.33 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 - c 25 2 Bytes