Header list of 1qtu.pdb file
Complete list - 24 20 Bytes
HEADER GENE REGULATION 29-JUN-99 1QTU
TITLE SOLUTION STRUCTURE OF THE ONCOPROTEIN P13MTCP1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (PRODUCT OF THE MTCP1 ONCOGENE);
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 CELL: T-CELLS;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_CELL: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PGEX-2T
KEYWDS BETA BARREL, GENE REGULATION
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR L.GUIGNARD,A.PADILLA,J.MISPELTER,Y.-S.YANG,M.-H.STERN,J.-M.LHOSTE,
AUTHOR 2 C.ROUMESTAND
REVDAT 4 24-JAN-18 1QTU 1 AUTHOR JRNL REMARK
REVDAT 3 24-FEB-09 1QTU 1 VERSN
REVDAT 2 01-APR-03 1QTU 1 JRNL
REVDAT 1 19-JAN-01 1QTU 0
JRNL AUTH L.GUIGNARD,A.PADILLA,J.MISPELTER,Y.S.YANG,M.H.STERN,
JRNL AUTH 2 J.M.LHOSTE,C.ROUMESTAND
JRNL TITL BACKBONE DYNAMICS AND SOLUTION STRUCTURE REFINEMENT OF THE
JRNL TITL 2 15N-LABELED HUMAN ONCOGENIC PROTEIN P13MTCP1: COMPARISON
JRNL TITL 3 WITH X-RAY DATA.
JRNL REF J.BIOMOL.NMR V. 17 215 2000
JRNL REFN ISSN 0925-2738
JRNL PMID 10959629
JRNL DOI 10.1023/A:1008386110930
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH Y.-S.YANG,L.GUIGNARD,A.PADILLA,F.HOH,M.-P.STRUB
REMARK 1 TITL SOLUTION STRUCTURE OF THE RECOMBINANT HUMAN ONCOPROTEIN
REMARK 1 TITL 2 P13MTCP1
REMARK 1 REF J.BIOMOL.NMR V. 11 337 1998
REMARK 1 REFN ISSN 0925-2738
REMARK 1 DOI 10.1023/A:1008279616063
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER 4.1
REMARK 3 AUTHORS : KOLLMAN. P-A.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1773 NOE RESTRAINTS, 80 DIHEDRAL ANGLE RESTRAINTS
REMARK 4
REMARK 4 1QTU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUN-99.
REMARK 100 THE DEPOSITION ID IS D_1000009259.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM P13MTCP1 U-15N; 20MM
REMARK 210 PHOSPHATE BUFFER NA;90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 2D
REMARK 210 NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ; 400 MHZ
REMARK 210 SPECTROMETER MODEL : AMX; DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
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 ARG A 116
REMARK 465 ASP A 117
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 SER A 60 HG1 THR A 64 1.52
REMARK 500 O LEU A 62 HG SER A 65 1.52
REMARK 500 HG SER A 111 O ILE A 114 1.52
REMARK 500 HG SER A 2 O HIS A 92 1.53
REMARK 500 O PRO A 12 HH TYR A 79 1.57
REMARK 500 HH TYR A 23 O PRO A 68 1.59
REMARK 500 O THR A 39 HG SER A 40 1.59
REMARK 500 HG1 THR A 30 O ILE A 49 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 HIS A 18 -31.89 -137.71
REMARK 500 GLU A 20 99.79 -63.69
REMARK 500 SER A 40 27.83 -152.85
REMARK 500 ALA A 57 -7.67 59.29
REMARK 500 THR A 64 -72.60 -64.85
REMARK 500 SER A 65 27.30 45.43
REMARK 500 GLN A 66 -72.59 -65.72
REMARK 500 GLU A 77 71.81 56.29
REMARK 500 PRO A 107 117.14 -38.22
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 ARG A 43 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1A1X RELATED DB: PDB
REMARK 900 1A1X CONTAINS THE RX STRUCTURE OF P13MTCP1
DBREF 1QTU A 1 117 UNP P56278 MTCPB_HUMAN 1 117
SEQRES 1 A 117 GLY SER MET ALA GLY GLU ASP VAL GLY ALA PRO PRO ASP
SEQRES 2 A 117 HIS LEU TRP VAL HIS GLN GLU GLY ILE TYR ARG ASP GLU
SEQRES 3 A 117 TYR GLN ARG THR TRP VAL ALA VAL VAL GLU GLU GLU THR
SEQRES 4 A 117 SER PHE LEU ARG ALA ARG VAL GLN GLN ILE GLN VAL PRO
SEQRES 5 A 117 LEU GLY ASP ALA ALA ARG PRO SER HIS LEU LEU THR SER
SEQRES 6 A 117 GLN LEU PRO LEU MET TRP GLN LEU TYR PRO GLU GLU ARG
SEQRES 7 A 117 TYR MET ASP ASN ASN SER ARG LEU TRP GLN ILE GLN HIS
SEQRES 8 A 117 HIS LEU MET VAL ARG GLY VAL GLN GLU LEU LEU LEU LYS
SEQRES 9 A 117 LEU LEU PRO ASP ASP ARG SER PRO GLY ILE HIS ARG ASP
HELIX 1 1 ARG A 58 SER A 65 1 8
SHEET 1 A 9 HIS A 14 GLN A 19 0
SHEET 2 A 9 ILE A 22 ARG A 24 -1 N ILE A 22 O GLN A 19
SHEET 3 A 9 THR A 30 GLU A 38 -1 O TRP A 31 N TYR A 23
SHEET 4 A 9 PHE A 41 GLN A 48 -1 O PHE A 41 N GLU A 38
SHEET 5 A 9 VAL A 98 LEU A 105 -1 O GLN A 99 N GLN A 48
SHEET 6 A 9 LEU A 86 VAL A 95 -1 N GLN A 88 O LYS A 104
SHEET 7 A 9 ARG A 78 ASP A 81 -1 O TYR A 79 N TRP A 87
SHEET 8 A 9 MET A 70 TYR A 74 -1 N GLN A 72 O MET A 80
SHEET 9 A 9 HIS A 14 GLN A 19 -1 O LEU A 15 N TRP A 71
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 - 24 20 Bytes