Header list of 1aje.pdb file
Complete list - b 16 2 Bytes
HEADER G-PROTEIN 02-MAY-97 1AJE
TITLE CDC42 FROM HUMAN, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CDC42HS;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: SEVEN NON-NATIVE AMINO ACIDS REMAIN AT THE N-TERMINUS
COMPND 6 AFTER CLEAVAGE OF THE FUSION PROTEIN
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 CELL_LINE: BL21;
SOURCE 6 ORGAN: PLACENTA;
SOURCE 7 CELLULAR_LOCATION: MEMBRANES AND GOLGI;
SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 10 EXPRESSION_SYSTEM_STRAIN: TG1, BL21 AND DL39;
SOURCE 11 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
SOURCE 12 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 13 EXPRESSION_SYSTEM_VECTOR: PGEX;
SOURCE 14 EXPRESSION_SYSTEM_PLASMID: PGEX-CDC42HS
KEYWDS G-PROTEIN, CELLULAR SIGNALING, CYTOSKELETAL REARRANGEMENT
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.L.FELTHAM,V.DOTSCH,S.RAZA,D.MANOR,R.A.CERIONE,M.J.SUTCLIFFE,
AUTHOR 2 G.WAGNER,R.E.OSWALD
REVDAT 3 16-FEB-22 1AJE 1 REMARK
REVDAT 2 24-FEB-09 1AJE 1 VERSN
REVDAT 1 12-NOV-97 1AJE 0
JRNL AUTH J.L.FELTHAM,V.DOTSCH,S.RAZA,D.MANOR,R.A.CERIONE,
JRNL AUTH 2 M.J.SUTCLIFFE,G.WAGNER,R.E.OSWALD
JRNL TITL DEFINITION OF THE SWITCH SURFACE IN THE SOLUTION STRUCTURE
JRNL TITL 2 OF CDC42HS.
JRNL REF BIOCHEMISTRY V. 36 8755 1997
JRNL REFN ISSN 0006-2960
JRNL PMID 9220962
JRNL DOI 10.1021/BI970694X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.843
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1AJE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000170889.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; HSQC; HNCO; HNCA;
REMARK 210 HN(CO)CA; CBCA(CO)NH; HCACO;
REMARK 210 TOCSY-HSQC; HCCH-TOCSY; NOESY-
REMARK 210 HSQC; HMQC-NOESY-HMQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ; 500 MHZ; 600 MHZ; 700
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY (500 MHZ); UNITY INOVA
REMARK 210 (600 MHZ; UNITY PLUS (400; 750
REMARK 210 MHZ)
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.843
REMARK 210 METHOD USED : DISTANCE GEOMETRY FOLLOWED BY
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST OVERALL ENERGY AND LOWEST
REMARK 210 CONSTRAINT VIOLATIONS
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
DBREF 1AJE A 1 187 UNP P60953 CDC42_HUMAN 1 187
SEQRES 1 A 194 GLY SER LYS ILE ILE SER ALA MET GLN THR ILE LYS CYS
SEQRES 2 A 194 VAL VAL VAL GLY ASP GLY ALA VAL GLY LYS THR CYS LEU
SEQRES 3 A 194 LEU ILE SER TYR THR THR ASN LYS PHE PRO SER GLU TYR
SEQRES 4 A 194 VAL PRO THR VAL PHE ASP ASN TYR ALA VAL THR VAL MET
SEQRES 5 A 194 ILE GLY GLY GLU PRO TYR THR LEU GLY LEU PHE ASP THR
SEQRES 6 A 194 ALA GLY GLN GLU ASP TYR ASP ARG LEU ARG PRO LEU SER
SEQRES 7 A 194 TYR PRO GLN THR ASP VAL PHE LEU VAL CYS PHE SER VAL
SEQRES 8 A 194 VAL SER PRO SER SER PHE GLU ASN VAL LYS GLU LYS TRP
SEQRES 9 A 194 VAL PRO GLU ILE THR HIS HIS CYS PRO LYS THR PRO PHE
SEQRES 10 A 194 LEU LEU VAL GLY THR GLN ILE ASP LEU ARG ASP ASP PRO
SEQRES 11 A 194 SER THR ILE GLU LYS LEU ALA LYS ASN LYS GLN LYS PRO
SEQRES 12 A 194 ILE THR PRO GLU THR ALA GLU LYS LEU ALA ARG ASP LEU
SEQRES 13 A 194 LYS ALA VAL LYS TYR VAL GLU CYS SER ALA LEU THR GLN
SEQRES 14 A 194 LYS GLY LEU LYS ASN VAL PHE ASP GLU ALA ILE LEU ALA
SEQRES 15 A 194 ALA LEU GLU PRO PRO GLU PRO LYS LYS SER ARG ARG
HELIX 1 A1 LYS A 16 THR A 25 1 10
HELIX 2 A3 PHE A 90 HIS A 103 1 14
HELIX 3 AI SER A 124 LYS A 128 1 5
HELIX 4 A4 THR A 141 ARG A 147 1 7
HELIX 5 A5 LEU A 165 LEU A 177 1 13
SHEET 1 B 6 LYS A 153 VAL A 155 0
SHEET 2 B 6 PRO A 109 GLY A 114 1 N LEU A 112 O LYS A 153
SHEET 3 B 6 VAL A 77 CYS A 81 1 N VAL A 80 O LEU A 111
SHEET 4 B 6 ILE A 4 VAL A 9 1 N VAL A 7 O VAL A 77
SHEET 5 B 6 GLU A 49 PHE A 56 1 N PHE A 56 O CYS A 6
SHEET 6 B 6 TYR A 40 MET A 45 -1 N VAL A 42 O LEU A 53
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 - b 16 2 Bytes