Header list of 1lea.pdb file
Complete list - 23 20 Bytes
HEADER TRANSCRIPTION REGULATION 11-MAY-94 1LEA
TITLE SOLUTION STRUCTURE OF THE LEXA REPRESSOR DNA BINDING DETERMINED BY 1H
TITLE 2 NMR SPECTROSCOPY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LEXA REPRESSOR DNA BINDING DOMAIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562
KEYWDS TRANSCRIPTION REGULATION
EXPDTA SOLUTION NMR
AUTHOR R.H.FOGH,G.OTTLEBEN,H.RUETERJANS,M.SCHNARR,R.BOELENS,R.KAPTEIN
REVDAT 3 23-FEB-22 1LEA 1 REMARK
REVDAT 2 24-FEB-09 1LEA 1 VERSN
REVDAT 1 31-AUG-94 1LEA 0
JRNL AUTH R.H.FOGH,G.OTTLEBEN,H.RUTERJANS,M.SCHNARR,R.BOELENS,
JRNL AUTH 2 R.KAPTEIN
JRNL TITL SOLUTION STRUCTURE OF THE LEXA REPRESSOR DNA BINDING DOMAIN
JRNL TITL 2 DETERMINED BY 1H NMR SPECTROSCOPY.
JRNL REF EMBO J. V. 13 3936 1994
JRNL REFN ISSN 0261-4189
JRNL PMID 8076591
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII
REMARK 3 AUTHORS : BIOSYM, INC.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1LEA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000174679.
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 : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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 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 RES C SSSEQI
REMARK 465 GLU A 73
REMARK 465 GLU A 74
REMARK 465 GLY A 75
REMARK 465 LEU A 76
REMARK 465 PRO A 77
REMARK 465 LEU A 78
REMARK 465 VAL A 79
REMARK 465 GLY A 80
REMARK 465 ARG A 81
REMARK 465 VAL A 82
REMARK 465 ALA A 83
REMARK 465 ALA A 84
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 GLU A 10 CD GLU A 10 OE2 0.108
REMARK 500 HIS A 18 CG HIS A 18 CD2 0.056
REMARK 500 GLU A 30 CD GLU A 30 OE2 0.106
REMARK 500 GLU A 44 CD GLU A 44 OE2 0.108
REMARK 500 GLU A 45 CD GLU A 45 OE2 0.108
REMARK 500 GLU A 57 CD GLU A 57 OE2 0.111
REMARK 500 GLU A 71 CD GLU A 71 OE2 0.110
REMARK 500 GLU A 72 CD GLU A 72 OE2 0.111
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ARG A 7 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 ASP A 13 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 ASP A 17 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 HIS A 18 ND1 - CE1 - NE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 ARG A 34 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 HIS A 46 ND1 - CE1 - NE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 ARG A 52 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 ARG A 64 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 ARG A 64 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 ARG A 67 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
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 GLU A 71 -97.29 -145.24
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LEB RELATED DB: PDB
DBREF 1LEA A 1 84 UNP P0A7C2 LEXA_ECOLI 1 84
SEQRES 1 A 84 MET LYS ALA LEU THR ALA ARG GLN GLN GLU VAL PHE ASP
SEQRES 2 A 84 LEU ILE ARG ASP HIS ILE SER GLN THR GLY MET PRO PRO
SEQRES 3 A 84 THR ARG ALA GLU ILE ALA GLN ARG LEU GLY PHE ARG SER
SEQRES 4 A 84 PRO ASN ALA ALA GLU GLU HIS LEU LYS ALA LEU ALA ARG
SEQRES 5 A 84 LYS GLY VAL ILE GLU ILE VAL SER GLY ALA SER ARG GLY
SEQRES 6 A 84 ILE ARG LEU LEU GLN GLU GLU GLU GLU GLY LEU PRO LEU
SEQRES 7 A 84 VAL GLY ARG VAL ALA ALA
HELIX 1 H1 ALA A 6 GLN A 21 1 16
HELIX 2 H2 ARG A 28 LEU A 35 1 8
HELIX 3 H3 ASN A 41 ARG A 52 1 12
SHEET 1 S1 2 ILE A 56 ILE A 58 0
SHEET 2 S1 2 ILE A 66 LEU A 68 -1 O ARG A 67 N GLU A 57
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 - 23 20 Bytes