HEADER TRANSCRIPTION 14-FEB-07 2OVN
TITLE NMR STRUCTURE OF THE GCN4 TRIGGER PEPTIDE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: AMINO ACID BIOSYNTHESIS REGULATORY PROTEIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: FMOC SYNTHESIS
KEYWDS GCN4, COILED-COIL, TRIGGER PEPTIDE, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR W.M.MATOUSEK,A.T.ALEXANDRESCU
REVDAT 4 16-MAR-22 2OVN 1 REMARK
REVDAT 3 24-FEB-09 2OVN 1 VERSN
REVDAT 2 29-MAY-07 2OVN 1 JRNL
REVDAT 1 03-APR-07 2OVN 0
JRNL AUTH M.O.STEINMETZ,I.JELESAROV,W.M.MATOUSEK,S.HONNAPPA,W.JAHNKE,
JRNL AUTH 2 J.H.MISSIMER,S.FRANK,A.T.ALEXANDRESCU,R.A.KAMMERER
JRNL TITL MOLECULAR BASIS OF COILED-COIL FORMATION.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 104 7062 2007
JRNL REFN ISSN 0027-8424
JRNL PMID 17438295
JRNL DOI 10.1073/PNAS.0700321104
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2OVN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-FEB-07.
REMARK 100 THE DEPOSITION ID IS D_1000041642.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
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 : FELIX 2000.1
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : 20 LOWEST ENERGY STRUCTURES
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
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 O HIS A 18 H GLU A 22 1.52
REMARK 500 O GLU A 22 H LEU A 26 1.59
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 TYR A 17 170.63 60.62
REMARK 500 2 TYR A 17 170.51 60.49
REMARK 500 3 TYR A 17 170.76 60.61
REMARK 500 4 TYR A 17 170.54 60.37
REMARK 500 5 TYR A 17 177.95 177.43
REMARK 500 6 TYR A 17 177.24 176.30
REMARK 500 7 TYR A 17 170.47 60.58
REMARK 500 7 VAL A 30 70.80 34.49
REMARK 500 8 TYR A 17 177.32 176.67
REMARK 500 9 TYR A 17 170.31 60.29
REMARK 500 10 TYR A 17 176.06 60.08
REMARK 500 11 TYR A 17 170.48 60.43
REMARK 500 11 VAL A 30 121.86 -33.10
REMARK 500 12 TYR A 17 177.95 177.49
REMARK 500 13 TYR A 17 170.64 60.38
REMARK 500 14 TYR A 17 170.56 60.56
REMARK 500 15 TYR A 17 170.52 60.54
REMARK 500 16 TYR A 17 170.52 60.66
REMARK 500 17 TYR A 17 176.91 176.18
REMARK 500 18 TYR A 17 170.49 60.57
REMARK 500 18 VAL A 30 57.70 35.26
REMARK 500 19 TYR A 17 178.10 177.49
REMARK 500 20 TYR A 17 177.00 176.79
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 25 0.31 SIDE CHAIN
REMARK 500 2 ARG A 25 0.32 SIDE CHAIN
REMARK 500 3 ARG A 25 0.28 SIDE CHAIN
REMARK 500 4 ARG A 25 0.31 SIDE CHAIN
REMARK 500 5 ARG A 25 0.31 SIDE CHAIN
REMARK 500 6 ARG A 25 0.32 SIDE CHAIN
REMARK 500 7 ARG A 25 0.32 SIDE CHAIN
REMARK 500 8 ARG A 25 0.29 SIDE CHAIN
REMARK 500 9 ARG A 25 0.32 SIDE CHAIN
REMARK 500 10 ARG A 25 0.32 SIDE CHAIN
REMARK 500 11 ARG A 25 0.32 SIDE CHAIN
REMARK 500 12 ARG A 25 0.32 SIDE CHAIN
REMARK 500 13 ARG A 25 0.32 SIDE CHAIN
REMARK 500 14 ARG A 25 0.32 SIDE CHAIN
REMARK 500 15 ARG A 25 0.32 SIDE CHAIN
REMARK 500 16 ARG A 25 0.32 SIDE CHAIN
REMARK 500 17 ARG A 25 0.32 SIDE CHAIN
REMARK 500 18 ARG A 25 0.32 SIDE CHAIN
REMARK 500 19 ARG A 25 0.32 SIDE CHAIN
REMARK 500 20 ARG A 25 0.32 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2OVN A 16 32 UNP P03069 GCN4_YEAST 264 280
SEQRES 1 A 17 ASN TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU LYS LYS
SEQRES 2 A 17 LEU VAL GLY GLU
HELIX 1 1 ASN A 16 VAL A 30 1 15
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
(ATOM LINES ARE NOT SHOWN.)
END
