Header list of 1sxd.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSCRIPTION, SIGNALING PROTEIN 30-MAR-04 1SXD
TITLE SOLUTION STRUCTURE OF THE POINTED (PNT) DOMAIN FROM MGABPA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GA REPEAT BINDING PROTEIN, ALPHA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PNT DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: GABPA;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28
KEYWDS ALPHA HELICAL, TRANSCRIPTION, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 14
AUTHOR C.D.MACKERETH,M.SCHAERPF,L.N.GENTILE,S.E.MACINTOSH,C.M.SLUPSKY,
AUTHOR 2 L.P.MCINTOSH
REVDAT 3 02-MAR-22 1SXD 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1SXD 1 VERSN
REVDAT 1 21-SEP-04 1SXD 0
JRNL AUTH C.D.MACKERETH,M.SCHAERPF,L.N.GENTILE,S.E.MACINTOSH,
JRNL AUTH 2 C.M.SLUPSKY,L.P.MCINTOSH
JRNL TITL DIVERSITY IN STRUCTURE AND FUNCTION OF THE ETS FAMILY PNT
JRNL TITL 2 DOMAINS.
JRNL REF J.MOL.BIOL. V. 342 1249 2004
JRNL REFN ISSN 0022-2836
JRNL PMID 15351649
JRNL DOI 10.1016/J.JMB.2004.07.094
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 2000, ARIA 1.2
REMARK 3 AUTHORS : ACCELRYS INC (FELIX), J.LINGE, S.O'DONOGHUE,
REMARK 3 M.NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1SXD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-APR-04.
REMARK 100 THE DEPOSITION ID IS D_1000022064.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 303; 303
REMARK 210 PH : 7.2; 7.2; 7.2
REMARK 210 IONIC STRENGTH : 40 MM; 40 MM; 40 MM
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM GABPA U-15N,13C, 20MM
REMARK 210 PHOSPHATE BUFFER PH 7.2, 20MM
REMARK 210 NACL, 2MM DTT, 90% H2O, 10% D2O;
REMARK 210 1MM GABPA 100%15N,10%13C, 20MM
REMARK 210 PHOSPHATE BUFFER PH 7.2 20MM
REMARK 210 NACL, 2MM DTT, 90% H2O, 10% D2O;
REMARK 210 2MM GABPA 100%15N, 20MM
REMARK 210 PHOSPHATE BUFFER PH 7.2 20MM
REMARK 210 NACL, 2MM DTT, 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY
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 : SPARKY 3, ARIA 1.2
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 14
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE 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: 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 HD2 PHE A 230 HD1 PHE A 231 1.35
REMARK 500
REMARK 500 REMARK: NULL
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 8 TYR A 184 CE1 TYR A 184 CZ 0.124
REMARK 500 8 TYR A 184 CZ TYR A 184 CE2 -0.090
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 THR A 208 -47.02 72.12
REMARK 500 1 ASP A 209 54.44 -103.86
REMARK 500 1 ASP A 211 106.93 -56.85
REMARK 500 1 VAL A 234 99.94 -174.39
REMARK 500 1 TYR A 250 42.80 -101.87
REMARK 500 1 ALA A 253 120.10 62.74
REMARK 500 2 THR A 208 93.92 -50.37
REMARK 500 2 ASP A 209 -25.53 169.20
REMARK 500 2 ASP A 211 96.54 -55.21
REMARK 500 2 VAL A 234 98.22 -175.31
REMARK 500 2 ARG A 236 34.46 -95.14
REMARK 500 2 ALA A 253 84.56 56.35
REMARK 500 3 SER A 165 103.01 -54.65
REMARK 500 3 HIS A 166 -7.88 68.87
REMARK 500 3 THR A 208 70.15 -61.22
REMARK 500 3 ASP A 209 27.55 -172.72
REMARK 500 3 VAL A 234 93.40 -174.54
REMARK 500 3 ARG A 236 31.17 -93.78
REMARK 500 4 SER A 165 103.01 -54.65
REMARK 500 4 HIS A 166 -7.88 68.87
REMARK 500 4 THR A 208 70.15 -61.22
REMARK 500 4 ASP A 209 27.55 -172.72
REMARK 500 4 VAL A 234 93.40 -174.54
REMARK 500 4 ARG A 236 31.17 -93.78
REMARK 500 5 SER A 165 103.01 -54.65
REMARK 500 5 HIS A 166 -7.88 68.87
REMARK 500 5 THR A 208 70.15 -61.22
REMARK 500 5 ASP A 209 27.55 -172.72
REMARK 500 5 VAL A 234 93.40 -174.54
REMARK 500 5 ARG A 236 31.17 -93.78
REMARK 500 6 SER A 165 103.01 -54.65
REMARK 500 6 HIS A 166 -7.88 68.87
REMARK 500 6 THR A 208 70.15 -61.22
REMARK 500 6 ASP A 209 27.55 -172.72
REMARK 500 6 VAL A 234 93.40 -174.54
REMARK 500 6 ARG A 236 31.17 -93.78
REMARK 500 7 SER A 165 103.01 -54.65
REMARK 500 7 HIS A 166 -7.88 68.87
REMARK 500 7 THR A 208 70.15 -61.22
REMARK 500 7 ASP A 209 27.55 -172.72
REMARK 500 7 VAL A 234 93.40 -174.54
REMARK 500 7 ARG A 236 31.17 -93.78
REMARK 500 8 SER A 165 56.89 -92.73
REMARK 500 8 THR A 208 -19.23 176.66
REMARK 500 8 VAL A 234 100.02 -175.88
REMARK 500 8 ARG A 236 31.85 -89.66
REMARK 500 8 ALA A 253 74.05 51.04
REMARK 500 9 ASP A 209 -43.34 -138.01
REMARK 500 9 VAL A 234 96.92 -177.72
REMARK 500 9 ARG A 236 31.55 -87.71
REMARK 500
REMARK 500 THIS ENTRY HAS 86 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 8 TYR A 184 0.09 SIDE CHAIN
REMARK 500 11 TYR A 184 0.05 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1SXD A 168 254 UNP Q00422 GABPA_MOUSE 168 254
SEQADV 1SXD GLY A 164 UNP Q00422 CLONING ARTIFACT
SEQADV 1SXD SER A 165 UNP Q00422 CLONING ARTIFACT
SEQADV 1SXD HIS A 166 UNP Q00422 CLONING ARTIFACT
SEQADV 1SXD MET A 167 UNP Q00422 CLONING ARTIFACT
SEQRES 1 A 91 GLY SER HIS MET ALA ALA LEU GLU GLY TYR ARG LYS GLU
SEQRES 2 A 91 GLN GLU ARG LEU GLY ILE PRO TYR ASP PRO ILE HIS TRP
SEQRES 3 A 91 SER THR ASP GLN VAL LEU HIS TRP VAL VAL TRP VAL MET
SEQRES 4 A 91 LYS GLU PHE SER MET THR ASP ILE ASP LEU THR THR LEU
SEQRES 5 A 91 ASN ILE SER GLY ARG GLU LEU CYS SER LEU ASN GLN GLU
SEQRES 6 A 91 ASP PHE PHE GLN ARG VAL PRO ARG GLY GLU ILE LEU TRP
SEQRES 7 A 91 SER HIS LEU GLU LEU LEU ARG LYS TYR VAL LEU ALA SER
HELIX 1 1 HIS A 166 GLU A 178 1 13
HELIX 2 2 ASP A 185 TRP A 189 5 5
HELIX 3 3 SER A 190 PHE A 205 1 16
HELIX 4 4 LEU A 212 ASN A 216 5 5
HELIX 5 5 SER A 218 LEU A 225 1 8
HELIX 6 6 ASN A 226 VAL A 234 1 9
HELIX 7 7 GLY A 237 TYR A 250 1 14
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 - r 2 2 Bytes