Header list of 1f53.pdb file
Complete list - 16 20 Bytes
HEADER TOXIN 12-JUN-00 1F53
TITLE NMR STRUCTURE OF KILLER TOXIN-LIKE PROTEIN SKLP
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: YEAST KILLER TOXIN-LIKE PROTEIN;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.;
SOURCE 3 ORGANISM_TAXID: 1931;
SOURCE 4 CELL: F-287
KEYWDS KILLER TOXIN-LIKE PROTEIN, SKLP, CRYSTALLIN FAMILY, TOXIN
EXPDTA SOLUTION NMR
AUTHOR S.OHKI,E.KARIYA,K.HIRAGA,A.WAKAMIYA,T.ISOBE,K.ODA,M.KAINOSHO
REVDAT 5 16-FEB-22 1F53 1 REMARK SHEET
REVDAT 4 24-FEB-09 1F53 1 VERSN
REVDAT 3 01-APR-03 1F53 1 JRNL
REVDAT 2 07-JAN-03 1F53 1 REMARK
REVDAT 1 27-DEC-00 1F53 0
JRNL AUTH S.Y.OHKI,E.KARIYA,K.HIRAGA,A.WAKAMIYA,T.ISOBE,K.ODA,
JRNL AUTH 2 M.KAINOSHO
JRNL TITL NMR STRUCTURE OF STREPTOMYCES KILLER TOXIN-LIKE PROTEIN,
JRNL TITL 2 SKLP: FURTHER EVIDENCE FOR THE WIDE DISTRIBUTION OF
JRNL TITL 3 SINGLE-DOMAIN BETAGAMMA-CRYSTALLIN SUPERFAMILY PROTEINS.
JRNL REF J.MOL.BIOL. V. 305 109 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11114251
JRNL DOI 10.1006/JMBI.2000.4244
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, X-PLOR
REMARK 3 AUTHORS : BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1F53 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JUN-00.
REMARK 100 THE DEPOSITION ID IS D_1000011253.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : ~1MM U-13C,15N SKLP; ~1MM U-15N
REMARK 210 SKLP; ~1MM UNLABELED SKLP; ~1MM
REMARK 210 U-13C,15N SKLP
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 2D NOESY; HMQC-
REMARK 210 J
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; DRX; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 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 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 LYS A 14 H SER A 45 1.43
REMARK 500 H TRP A 16 O LYS A 43 1.45
REMARK 500 O LEU A 51 H VAL A 63 1.51
REMARK 500 O ASP A 55 H GLY A 58 1.55
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 CYS A 6 160.50 57.51
REMARK 500 ARG A 7 57.71 -94.24
REMARK 500 GLU A 10 41.50 -161.15
REMARK 500 ASN A 11 -153.26 171.14
REMARK 500 PHE A 12 -170.32 44.48
REMARK 500 SER A 19 166.85 177.26
REMARK 500 SER A 24 129.97 -171.65
REMARK 500 TYR A 28 -164.08 -122.09
REMARK 500 ASN A 30 -162.65 65.04
REMARK 500 TRP A 39 81.85 173.57
REMARK 500 TRP A 40 69.99 -161.43
REMARK 500 ASP A 42 -0.92 176.66
REMARK 500 LYS A 43 161.99 156.32
REMARK 500 SER A 45 76.69 -119.10
REMARK 500 ASN A 48 4.80 166.02
REMARK 500 TYR A 54 98.56 -62.63
REMARK 500 ALA A 56 -30.63 -35.84
REMARK 500 SER A 60 83.26 -48.02
REMARK 500 ASP A 64 76.01 -101.34
REMARK 500 ARG A 65 177.75 42.05
REMARK 500 TRP A 66 58.42 31.81
REMARK 500 TYR A 71 46.72 -146.49
REMARK 500 ASN A 73 -50.79 -144.39
REMARK 500 ARG A 74 -176.28 -53.83
REMARK 500 LYS A 77 60.27 175.93
REMARK 500 SER A 80 170.46 173.03
REMARK 500 GLU A 82 75.87 -175.76
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 7 0.26 SIDE CHAIN
REMARK 500 ARG A 31 0.18 SIDE CHAIN
REMARK 500 ARG A 33 0.26 SIDE CHAIN
REMARK 500 ARG A 62 0.19 SIDE CHAIN
REMARK 500 ARG A 65 0.30 SIDE CHAIN
REMARK 500 ARG A 74 0.22 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2BB2 RELATED DB: PDB
REMARK 900 2BB2 CONTAINS BETA-B2-CRYSTALLIN
REMARK 900 RELATED ID: 1AG4 RELATED DB: PDB
REMARK 900 1AG4 CONTAINS SPHERULIN 3A
REMARK 900 RELATED ID: 1PRS RELATED DB: PDB
REMARK 900 1PRS CONTAINS DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT PROTEIN S)
REMARK 900 RELATED ID: 1WKT RELATED DB: PDB
REMARK 900 1WKT CONTAINS YEAST KILLER TOXIN
REMARK 900 RELATED ID: 1BHU RELATED DB: PDB
REMARK 900 1BHU CONTAINS METALLOPROTEINASE INHIBITOR
DBREF 1F53 A 1 84 PDB 1F53 1F53 1 84
SEQRES 1 A 84 ILE ASP HIS VAL PRO CYS ARG GLY GLY GLU ASN PHE LEU
SEQRES 2 A 84 LYS ILE TRP SER HIS SER GLY GLY GLN GLN SER VAL ASP
SEQRES 3 A 84 CYS TYR ALA ASN ARG GLY ARG ILE ASP PHE GLY GLY TRP
SEQRES 4 A 84 TRP VAL ASP LYS ILE SER THR GLY ASN ASN ASP LEU ILE
SEQRES 5 A 84 TYR TYR ASP ALA ASN GLY ASP SER VAL ARG VAL ASP ARG
SEQRES 6 A 84 TRP HIS ASP ILE THR TYR PRO ASN ARG PRO PRO LYS VAL
SEQRES 7 A 84 ASN SER ILE GLU ILE LEU
SHEET 1 S1 5 ASP A 2 HIS A 3 0
SHEET 2 S1 5 GLN A 23 ALA A 29 1 O ALA A 29 N ASP A 2
SHEET 3 S1 5 LEU A 13 HIS A 18 -1 O LEU A 13 N TYR A 28
SHEET 4 S1 5 LYS A 43 THR A 46 -1 O LYS A 43 N TRP A 16
SHEET 5 S1 5 HIS A 67 ILE A 69 -1 N ILE A 69 O ILE A 44
SHEET 1 S2 2 SER A 80 ILE A 83 0
SHEET 2 S2 2 ASP A 59 ASP A 64 -1 N VAL A 63 O LEU A 51
SSBOND 1 CYS A 6 CYS A 27 1555 1555 2.48
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 - 16 20 Bytes