Header list of 1rlf.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNAL TRANSDUCTION PROTEIN 09-JUL-98 1RLF
TITLE STRUCTURE DETERMINATION OF THE RAS-BINDING DOMAIN OF THE RAL-SPECIFIC
TITLE 2 GUANINE NUCLEOTIDE EXCHANGE FACTOR RLF, NMR, 10 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RLF;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RAS BINDING DOMAIN, RESIDUES 646 - 735;
COMPND 5 SYNONYM: RLF-RBD;
COMPND 6 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 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX4T3
KEYWDS SIGNAL TRANSDUCTION PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR D.ESSER,B.BAUER,R.M.F.WOLTHUIS,A.WITTINGHOFER,R.H.COOL,P.BAY
REVDAT 3 02-MAR-22 1RLF 1 REMARK
REVDAT 2 24-FEB-09 1RLF 1 VERSN
REVDAT 1 16-FEB-99 1RLF 0
JRNL AUTH D.ESSER,B.BAUER,R.M.WOLTHUIS,A.WITTINGHOFER,R.H.COOL,P.BAYER
JRNL TITL STRUCTURE DETERMINATION OF THE RAS-BINDING DOMAIN OF THE
JRNL TITL 2 RAL-SPECIFIC GUANINE NUCLEOTIDE EXCHANGE FACTOR RLF.
JRNL REF BIOCHEMISTRY V. 37 13453 1998
JRNL REFN ISSN 0006-2960
JRNL PMID 9753431
JRNL DOI 10.1021/BI9811664
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.M.WOLTHUIS,N.D.DE RUITER,R.H.COOL,J.L.BOS
REMARK 1 TITL STIMULATION OF GENE INDUCTION AND CELL GROWTH BY THE RAS
REMARK 1 TITL 2 EFFECTOR RLF
REMARK 1 REF EMBO J. V. 16 6748 1997
REMARK 1 REFN ISSN 0261-4189
REMARK 1 REFERENCE 2
REMARK 1 AUTH R.M.WOLTHUIS,B.BAUER,L.J.VAN'T VEER,A.M.DE VRIES-SMITS,
REMARK 1 AUTH 2 R.H.COOL,M.SPAARGAREN,A.WITTINGHOFER,B.M.BURGERING,J.L.BOS
REMARK 1 TITL RALGDS-LIKE FACTOR (RLF) IS A NOVEL RAS AND RAP
REMARK 1 TITL 2 1A-ASSOCIATING PROTEIN
REMARK 1 REF ONCOGENE V. 13 353 1996
REMARK 1 REFN ISSN 0950-9232
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: TOTAL NUMBER OF NOE CONSTRAINTS 2287;
REMARK 3 INTRARESIDUE NOE CONSTRAINTS 804; SEQUENTIAL INTERRESIDUE
REMARK 3 CONSTRAINTS (|I-J|=1) 469; INTERRESIDUE CONSTRAINTS (1<|I-J|<5)
REMARK 3 296; INTERRESIDUE CONSTRAINTS (|I-J|>=5) 718; BACKBONE RMSD FROM
REMARK 3 TARGET DISTANCES (ASP4-ARG90) 0.2A (COMPARED TO AVERAGE
REMARK 3 STRUCTURE) COORDINATE RMSD FROM THE AVERAGE FOR ALL HEAVY
REMARK 3 ATOM0.6A; NUMBER OF STRUCTURES USED IN ABOVE STATISTICS 10S
REMARK 4
REMARK 4 1RLF 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_1000176109.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; NOECLEAN-TOCSY; GS-15N
REMARK 210 -HSQC; 15N-NOESY-HMQC; 15N-TOCSY-
REMARK 210 HMQCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NDEE, X-PLOR 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TWO- AND THREE
REMARK 210 -DIMENSIONAL NMR SPECTROSCOPY ON UNLABELED AND 15N LABELED RLF-
REMARK 210 RBD
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 VAL A 684 H ASN A 688 1.51
REMARK 500 O PHE A 719 H ASP A 723 1.57
REMARK 500 H VAL A 655 O LYS A 667 1.57
REMARK 500 O ALA A 716 H VAL A 718 1.58
REMARK 500 H ARG A 654 O HIS A 727 1.58
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 LYS A 667 109.60 179.43
REMARK 500 1 SER A 692 -132.26 -97.11
REMARK 500 1 LEU A 703 130.13 86.69
REMARK 500 1 ASP A 707 -47.28 -147.66
REMARK 500 1 LEU A 710 56.47 -113.78
REMARK 500 1 ASN A 717 64.85 -66.59
REMARK 500 1 ALA A 725 -146.95 -95.06
REMARK 500 2 VAL A 665 -0.30 -144.55
REMARK 500 2 ASP A 691 -40.20 -130.97
REMARK 500 2 SER A 692 -140.69 -96.79
REMARK 500 2 ALA A 695 102.53 51.05
REMARK 500 2 LEU A 703 129.16 76.12
REMARK 500 2 ASP A 707 -53.40 -133.15
REMARK 500 2 ASN A 717 62.58 -69.26
REMARK 500 2 ALA A 725 -150.62 -93.56
REMARK 500 3 LYS A 667 127.78 -177.01
REMARK 500 3 SER A 692 -147.31 -96.72
REMARK 500 3 ALA A 695 107.31 58.11
REMARK 500 3 GLU A 697 71.41 -69.72
REMARK 500 3 LEU A 703 135.93 80.06
REMARK 500 3 ASP A 707 -57.97 -130.30
REMARK 500 4 LYS A 667 118.24 -170.57
REMARK 500 4 SER A 692 -149.84 -96.61
REMARK 500 4 ALA A 695 91.23 60.34
REMARK 500 4 LEU A 703 128.99 72.72
REMARK 500 4 ASP A 707 -50.20 -131.79
REMARK 500 4 PRO A 713 34.05 -67.90
REMARK 500 4 ALA A 725 -145.49 -94.00
REMARK 500 4 HIS A 727 77.71 -105.38
REMARK 500 4 GLN A 733 102.96 -55.78
REMARK 500 5 SER A 692 -133.36 -96.99
REMARK 500 5 VAL A 694 -85.19 -142.94
REMARK 500 5 LEU A 703 127.83 83.64
REMARK 500 5 ASP A 707 -48.66 -130.19
REMARK 500 5 LEU A 710 67.57 -117.72
REMARK 500 6 VAL A 665 11.24 -142.69
REMARK 500 6 SER A 692 -135.96 -99.74
REMARK 500 6 ALA A 695 110.47 53.04
REMARK 500 6 GLU A 697 69.78 -69.87
REMARK 500 6 LEU A 703 125.17 76.72
REMARK 500 6 ASP A 707 -47.83 -148.51
REMARK 500 6 PRO A 713 2.42 -62.22
REMARK 500 6 ASP A 723 -95.03 -60.45
REMARK 500 6 ALA A 725 -108.19 -91.57
REMARK 500 7 LYS A 667 119.40 -164.04
REMARK 500 7 SER A 692 -135.85 -98.74
REMARK 500 7 ALA A 695 105.62 49.38
REMARK 500 7 LEU A 703 127.40 83.66
REMARK 500 7 ASP A 707 -51.79 -134.43
REMARK 500 7 ALA A 725 -127.94 -96.62
REMARK 500
REMARK 500 THIS ENTRY HAS 74 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 1 ARG A 651 0.17 SIDE CHAIN
REMARK 500 1 ARG A 654 0.15 SIDE CHAIN
REMARK 500 1 ARG A 683 0.13 SIDE CHAIN
REMARK 500 1 ARG A 690 0.30 SIDE CHAIN
REMARK 500 1 ARG A 708 0.32 SIDE CHAIN
REMARK 500 1 ARG A 732 0.08 SIDE CHAIN
REMARK 500 1 ARG A 734 0.30 SIDE CHAIN
REMARK 500 1 ARG A 735 0.19 SIDE CHAIN
REMARK 500 2 ARG A 651 0.22 SIDE CHAIN
REMARK 500 2 ARG A 654 0.26 SIDE CHAIN
REMARK 500 2 ARG A 683 0.11 SIDE CHAIN
REMARK 500 2 ARG A 690 0.08 SIDE CHAIN
REMARK 500 2 ARG A 708 0.17 SIDE CHAIN
REMARK 500 2 ARG A 734 0.25 SIDE CHAIN
REMARK 500 2 ARG A 735 0.17 SIDE CHAIN
REMARK 500 3 ARG A 651 0.13 SIDE CHAIN
REMARK 500 3 ARG A 654 0.22 SIDE CHAIN
REMARK 500 3 ARG A 683 0.31 SIDE CHAIN
REMARK 500 3 ARG A 690 0.19 SIDE CHAIN
REMARK 500 3 ARG A 708 0.32 SIDE CHAIN
REMARK 500 3 ARG A 732 0.24 SIDE CHAIN
REMARK 500 3 ARG A 734 0.12 SIDE CHAIN
REMARK 500 3 ARG A 735 0.26 SIDE CHAIN
REMARK 500 4 ARG A 651 0.14 SIDE CHAIN
REMARK 500 4 ARG A 654 0.19 SIDE CHAIN
REMARK 500 4 ARG A 690 0.21 SIDE CHAIN
REMARK 500 4 ARG A 732 0.31 SIDE CHAIN
REMARK 500 4 ARG A 734 0.22 SIDE CHAIN
REMARK 500 4 ARG A 735 0.31 SIDE CHAIN
REMARK 500 5 ARG A 651 0.28 SIDE CHAIN
REMARK 500 5 ARG A 654 0.20 SIDE CHAIN
REMARK 500 5 ARG A 683 0.28 SIDE CHAIN
REMARK 500 5 ARG A 708 0.22 SIDE CHAIN
REMARK 500 5 ARG A 732 0.27 SIDE CHAIN
REMARK 500 5 ARG A 734 0.32 SIDE CHAIN
REMARK 500 5 ARG A 735 0.22 SIDE CHAIN
REMARK 500 6 ARG A 651 0.22 SIDE CHAIN
REMARK 500 6 ARG A 683 0.32 SIDE CHAIN
REMARK 500 6 ARG A 690 0.29 SIDE CHAIN
REMARK 500 6 ARG A 708 0.32 SIDE CHAIN
REMARK 500 6 ARG A 732 0.31 SIDE CHAIN
REMARK 500 6 ARG A 734 0.31 SIDE CHAIN
REMARK 500 6 ARG A 735 0.31 SIDE CHAIN
REMARK 500 7 ARG A 651 0.14 SIDE CHAIN
REMARK 500 7 ARG A 654 0.23 SIDE CHAIN
REMARK 500 7 ARG A 683 0.32 SIDE CHAIN
REMARK 500 7 ARG A 690 0.30 SIDE CHAIN
REMARK 500 7 ARG A 708 0.27 SIDE CHAIN
REMARK 500 7 ARG A 732 0.31 SIDE CHAIN
REMARK 500 7 ARG A 734 0.28 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 71 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1RLF A 646 735 UNP Q61193 RGL2_MOUSE 646 735
SEQRES 1 A 90 GLY SER SER ASP CYS ARG ILE ILE ARG VAL GLN MET GLU
SEQRES 2 A 90 LEU GLY GLU ASP GLY SER VAL TYR LYS SER ILE LEU VAL
SEQRES 3 A 90 THR SER GLN ASP LYS ALA PRO SER VAL ILE SER ARG VAL
SEQRES 4 A 90 LEU LYS LYS ASN ASN ARG ASP SER ALA VAL ALA SER GLU
SEQRES 5 A 90 PHE GLU LEU VAL GLN LEU LEU PRO GLY ASP ARG GLU LEU
SEQRES 6 A 90 THR ILE PRO HIS SER ALA ASN VAL PHE TYR ALA MET ASP
SEQRES 7 A 90 GLY ALA SER HIS ASP PHE LEU LEU ARG GLN ARG ARG
HELIX 1 1 VAL A 680 LYS A 687 1 8
HELIX 2 2 PHE A 719 MET A 722 1 4
SHEET 1 A 4 SER A 668 THR A 672 0
SHEET 2 A 4 CYS A 650 MET A 657 -1 N ILE A 653 O ILE A 669
SHEET 3 A 4 HIS A 727 GLN A 733 1 N HIS A 727 O ARG A 654
SHEET 4 A 4 PHE A 698 GLN A 702 -1 N VAL A 701 O LEU A 730
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