Header list of 1bqf.pdb file
Complete list - 16 20 Bytes
HEADER HORMONE/GROWTH FACTOR 09-AUG-98 1BQF
TITLE GROWTH-BLOCKING PEPTIDE (GBP) FROM PSEUDALETIA SEPARATA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (GROWTH-BLOCKING PEPTIDE);
COMPND 3 CHAIN: A;
COMPND 4 OTHER_DETAILS: CHEMICALLY SYNTHESIZED
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: APANTELES KARIYAI;
SOURCE 3 ORGANISM_TAXID: 7404;
SOURCE 4 ORGAN: BRAIN;
SOURCE 5 TISSUE: FAT BODY;
SOURCE 6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED
KEYWDS GROWTH FACTOR, HORMONE-GROWTH FACTOR COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 16
AUTHOR T.AIZAWA,N.FUJITANI,Y.HAYAKAWA,A.OHNISHI,T.OHKUBO,K.KWANO,K.HIKICHI,
AUTHOR 2 K.NITTA
REVDAT 6 16-FEB-22 1BQF 1 REMARK
REVDAT 5 24-FEB-09 1BQF 1 VERSN
REVDAT 4 01-APR-03 1BQF 1 JRNL
REVDAT 3 01-MAY-00 1BQF 1 COMPND SOURCE DBREF
REVDAT 2 29-DEC-99 1BQF 4 HEADER COMPND REMARK JRNL
REVDAT 2 2 4 ATOM SOURCE SEQRES
REVDAT 1 09-DEC-98 1BQF 0
JRNL AUTH T.AIZAWA,N.FUJITANI,Y.HAYAKAWA,A.OHNISHI,T.OHKUBO,Y.KUMAKI,
JRNL AUTH 2 K.KAWANO,K.HIKICHI,K.NITTA
JRNL TITL SOLUTION STRUCTURE OF AN INSECT GROWTH FACTOR,
JRNL TITL 2 GROWTH-BLOCKING PEPTIDE.
JRNL REF J.BIOL.CHEM. V. 274 1887 1999
JRNL PUBL ROCKVILLE PIKE, BETHESDA, MD USA
JRNL REFN ISSN 0021-9258
JRNL PMID 9890941
JRNL DOI 10.1074/JBC.274.4.1887
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 DISTANCE GEOMETRY AND SIMULATED ANNEALING (DGSA PROTOCOL IN X-PLOR
REMARK 3 3.1 MANUAL,
REMARK 3 AXEL T. BRUNGER)
REMARK 4
REMARK 4 1BQF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.
REMARK 100 THE DEPOSITION ID IS D_1000008028.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 4.4
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; TOCSY; NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : JNM-ALPHA 500
REMARK 210 SPECTROMETER MANUFACTURER : JEOL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 16
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION AND
REMARK 210 LOWEST TOTAL ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TWO DIMENSIONAL 1H 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 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 SER A 4 -150.92 -74.68
REMARK 500 1 THR A 22 67.78 -118.08
REMARK 500 1 PHE A 23 47.51 -99.15
REMARK 500 2 CYS A 7 -151.05 -99.07
REMARK 500 2 MET A 12 165.05 -44.39
REMARK 500 3 ASN A 2 151.65 177.22
REMARK 500 3 PHE A 3 112.82 65.10
REMARK 500 3 CYS A 7 -71.78 -94.00
REMARK 500 4 SER A 4 36.82 -98.10
REMARK 500 4 VAL A 8 170.89 -48.54
REMARK 500 4 ARG A 18 -160.78 -110.85
REMARK 500 5 PHE A 3 96.91 -166.64
REMARK 500 5 CYS A 7 -92.22 -89.73
REMARK 500 5 ARG A 18 -166.33 163.56
REMARK 500 5 THR A 22 42.15 -107.46
REMARK 500 6 PHE A 3 -74.82 -87.89
REMARK 500 6 SER A 4 -69.14 176.90
REMARK 500 6 THR A 22 43.84 -101.89
REMARK 500 6 TYR A 24 -178.63 60.57
REMARK 500 7 SER A 4 88.53 65.57
REMARK 500 7 CYS A 7 -150.43 -93.90
REMARK 500 7 THR A 22 54.17 -115.74
REMARK 500 7 PHE A 23 51.62 -116.24
REMARK 500 7 TYR A 24 172.10 -45.89
REMARK 500 8 PHE A 3 -86.94 -107.17
REMARK 500 8 CYS A 7 -142.87 -131.66
REMARK 500 8 ASP A 16 -74.70 -53.60
REMARK 500 8 ARG A 18 143.76 -173.53
REMARK 500 8 PHE A 23 54.41 -90.99
REMARK 500 8 TYR A 24 -93.06 56.50
REMARK 500 9 MET A 12 106.09 -51.64
REMARK 500 10 ASN A 2 48.24 -164.68
REMARK 500 10 PHE A 3 -72.16 -45.08
REMARK 500 10 SER A 4 -72.21 -165.06
REMARK 500 10 THR A 22 53.77 -140.50
REMARK 500 11 ASN A 2 -90.28 61.90
REMARK 500 11 SER A 4 -168.67 50.52
REMARK 500 11 VAL A 8 165.05 -43.93
REMARK 500 12 PHE A 3 70.50 58.56
REMARK 500 12 MET A 12 153.00 -43.84
REMARK 500 12 ARG A 18 -171.55 -178.83
REMARK 500 12 THR A 22 54.61 -97.38
REMARK 500 13 PHE A 23 88.89 -153.94
REMARK 500 14 ASN A 2 78.11 -111.37
REMARK 500 14 SER A 4 -46.49 -137.76
REMARK 500 14 CYS A 7 -66.98 -94.28
REMARK 500 14 ARG A 18 130.69 178.92
REMARK 500 14 TYR A 24 154.41 65.87
REMARK 500 15 MET A 12 108.09 -45.21
REMARK 500 15 TYR A 24 -157.07 -103.21
REMARK 500
REMARK 500 THIS ENTRY HAS 53 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 1 ARG A 13 0.24 SIDE CHAIN
REMARK 500 1 ARG A 18 0.29 SIDE CHAIN
REMARK 500 2 ARG A 13 0.32 SIDE CHAIN
REMARK 500 2 ARG A 18 0.27 SIDE CHAIN
REMARK 500 3 ARG A 13 0.21 SIDE CHAIN
REMARK 500 3 ARG A 18 0.31 SIDE CHAIN
REMARK 500 4 ARG A 13 0.29 SIDE CHAIN
REMARK 500 4 ARG A 18 0.18 SIDE CHAIN
REMARK 500 5 ARG A 13 0.32 SIDE CHAIN
REMARK 500 5 ARG A 18 0.29 SIDE CHAIN
REMARK 500 6 ARG A 13 0.27 SIDE CHAIN
REMARK 500 6 ARG A 18 0.28 SIDE CHAIN
REMARK 500 7 ARG A 13 0.31 SIDE CHAIN
REMARK 500 7 ARG A 18 0.16 SIDE CHAIN
REMARK 500 8 ARG A 13 0.22 SIDE CHAIN
REMARK 500 8 ARG A 18 0.32 SIDE CHAIN
REMARK 500 9 ARG A 13 0.30 SIDE CHAIN
REMARK 500 9 ARG A 18 0.13 SIDE CHAIN
REMARK 500 10 ARG A 13 0.30 SIDE CHAIN
REMARK 500 10 ARG A 18 0.22 SIDE CHAIN
REMARK 500 11 ARG A 18 0.23 SIDE CHAIN
REMARK 500 12 ARG A 13 0.24 SIDE CHAIN
REMARK 500 12 ARG A 18 0.31 SIDE CHAIN
REMARK 500 13 ARG A 13 0.09 SIDE CHAIN
REMARK 500 14 ARG A 13 0.29 SIDE CHAIN
REMARK 500 14 ARG A 18 0.29 SIDE CHAIN
REMARK 500 15 ARG A 13 0.32 SIDE CHAIN
REMARK 500 15 ARG A 18 0.32 SIDE CHAIN
REMARK 500 16 ARG A 13 0.27 SIDE CHAIN
REMARK 500 16 ARG A 18 0.11 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BQF A 1 25 UNP Q27913 GBP_PSESE 1 25
SEQRES 1 A 25 GLU ASN PHE SER GLY GLY CYS VAL ALA GLY TYR MET ARG
SEQRES 2 A 25 THR PRO ASP GLY ARG CYS LYS PRO THR PHE TYR GLN
SHEET 1 A 2 TYR A 11 ARG A 13 0
SHEET 2 A 2 CYS A 19 PRO A 21 -1 N LYS A 20 O MET A 12
SSBOND 1 CYS A 7 CYS A 19 1555 1555 2.02
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 - 16 20 Bytes