Header list of 1d4b.pdb file
Complete list - b 16 2 Bytes
HEADER APOPTOSIS 02-OCT-99 1D4B
TITLE CIDE-N DOMAIN OF HUMAN CIDE-B
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HUMAN CELL DEATH-INDUCING EFFECTOR B;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL DOMAIN;
COMPND 5 SYNONYM: CIDE B;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS ALPHA/BETA ROLL, APOPTOSIS
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR A.LUGOVSKOY,P.ZHOU,J.CHOU,J.MCCARTY,P.LI,G.WAGNER
REVDAT 5 16-FEB-22 1D4B 1 REMARK
REVDAT 4 24-FEB-09 1D4B 1 VERSN
REVDAT 3 01-APR-03 1D4B 1 JRNL
REVDAT 2 05-APR-00 1D4B 1 JRNL
REVDAT 1 17-DEC-99 1D4B 0
JRNL AUTH A.A.LUGOVSKOY,P.ZHOU,J.J.CHOU,J.S.MCCARTY,P.LI,G.WAGNER
JRNL TITL SOLUTION STRUCTURE OF THE CIDE-N DOMAIN OF CIDE-B AND A
JRNL TITL 2 MODEL FOR CIDE-N/CIDE-N INTERACTIONS IN THE DNA
JRNL TITL 3 FRAGMENTATION PATHWAY OF APOPTOSIS.
JRNL REF CELL(CAMBRIDGE,MASS.) V. 99 747 1999
JRNL REFN ISSN 0092-8674
JRNL PMID 10619428
JRNL DOI 10.1016/S0092-8674(00)81672-4
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.18
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1D4B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-99.
REMARK 100 THE DEPOSITION ID IS D_1000009775.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.6
REMARK 210 IONIC STRENGTH : 0.15
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 0.5MM CIDE-N OF CIDE-B
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : A MINIMAL SET OF NMR EXPERIMENTS
REMARK 210 REQUIRED FOR HIGH-RESOLUTION
REMARK 210 STRUCTURE DETERMINATION
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; UNITY; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA 1.5
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING TORSION ANGLE DYNAMICS
REMARK 210 RELAXATION DATA
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING MULTIDIMENTIONAL 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: 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 GLU A 2 -168.95 -101.63
REMARK 500 1 LEU A 4 -61.02 -123.56
REMARK 500 1 LEU A 7 57.67 -165.35
REMARK 500 1 ASP A 11 -58.84 -164.43
REMARK 500 1 LEU A 12 37.93 -144.08
REMARK 500 1 ARG A 14 35.31 -145.47
REMARK 500 1 PHE A 23 75.65 -167.15
REMARK 500 1 ARG A 25 -38.54 -136.16
REMARK 500 1 HIS A 43 -86.84 -34.86
REMARK 500 1 LYS A 44 -69.94 -92.63
REMARK 500 1 ARG A 45 15.84 -153.91
REMARK 500 1 ARG A 56 -77.20 -90.72
REMARK 500 1 LEU A 64 -72.13 -77.09
REMARK 500 1 ASP A 85 24.88 -145.42
REMARK 500 1 PHE A 89 -77.12 -46.77
REMARK 500 1 LEU A 116 -167.61 -61.75
REMARK 500 1 HIS A 120 -39.02 -169.93
REMARK 500 2 ALA A 6 -135.45 -92.70
REMARK 500 2 LEU A 7 -63.80 -91.57
REMARK 500 2 ASP A 11 84.70 -167.87
REMARK 500 2 SER A 17 71.40 -160.73
REMARK 500 2 ILE A 19 71.02 176.61
REMARK 500 2 SER A 30 -154.75 -84.78
REMARK 500 2 ALA A 31 71.23 -119.81
REMARK 500 2 HIS A 43 -86.91 -36.37
REMARK 500 2 LYS A 44 -70.06 -92.71
REMARK 500 2 ARG A 45 16.46 -154.03
REMARK 500 2 ARG A 56 -80.38 -90.32
REMARK 500 2 SER A 113 -44.41 -152.27
REMARK 500 2 HIS A 120 -167.78 -72.16
REMARK 500 3 SER A 5 48.65 -154.48
REMARK 500 3 LEU A 7 -60.45 -140.14
REMARK 500 3 SER A 10 -153.87 -166.08
REMARK 500 3 LEU A 12 53.74 -101.01
REMARK 500 3 SER A 15 90.68 -161.07
REMARK 500 3 ILE A 19 -37.29 176.57
REMARK 500 3 GLU A 22 58.83 -109.56
REMARK 500 3 TRP A 28 -67.59 -122.70
REMARK 500 3 SER A 30 -46.77 -145.56
REMARK 500 3 HIS A 43 -86.27 -35.02
REMARK 500 3 LYS A 44 -69.82 -92.11
REMARK 500 3 ARG A 45 15.78 -153.90
REMARK 500 3 ARG A 56 -78.22 -90.57
REMARK 500 3 ASP A 85 21.10 -145.77
REMARK 500 3 PHE A 89 -76.07 -45.11
REMARK 500 3 SER A 104 164.92 -44.30
REMARK 500 3 SER A 113 -154.88 -156.28
REMARK 500 3 VAL A 115 82.68 52.93
REMARK 500 4 GLU A 2 -65.04 -166.48
REMARK 500 4 ALA A 6 -135.55 -159.43
REMARK 500
REMARK 500 THIS ENTRY HAS 259 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 14 0.22 SIDE CHAIN
REMARK 500 1 ARG A 25 0.23 SIDE CHAIN
REMARK 500 1 ARG A 26 0.22 SIDE CHAIN
REMARK 500 1 ARG A 36 0.25 SIDE CHAIN
REMARK 500 1 ARG A 39 0.31 SIDE CHAIN
REMARK 500 1 ARG A 45 0.22 SIDE CHAIN
REMARK 500 1 ARG A 48 0.25 SIDE CHAIN
REMARK 500 1 ARG A 56 0.27 SIDE CHAIN
REMARK 500 1 ARG A 112 0.25 SIDE CHAIN
REMARK 500 2 ARG A 14 0.28 SIDE CHAIN
REMARK 500 2 ARG A 25 0.24 SIDE CHAIN
REMARK 500 2 ARG A 26 0.28 SIDE CHAIN
REMARK 500 2 ARG A 36 0.31 SIDE CHAIN
REMARK 500 2 ARG A 39 0.25 SIDE CHAIN
REMARK 500 2 ARG A 45 0.28 SIDE CHAIN
REMARK 500 2 ARG A 48 0.28 SIDE CHAIN
REMARK 500 2 ARG A 56 0.24 SIDE CHAIN
REMARK 500 2 ARG A 112 0.29 SIDE CHAIN
REMARK 500 3 ARG A 14 0.25 SIDE CHAIN
REMARK 500 3 ARG A 25 0.30 SIDE CHAIN
REMARK 500 3 ARG A 26 0.28 SIDE CHAIN
REMARK 500 3 ARG A 36 0.22 SIDE CHAIN
REMARK 500 3 ARG A 39 0.31 SIDE CHAIN
REMARK 500 3 ARG A 45 0.26 SIDE CHAIN
REMARK 500 3 ARG A 48 0.28 SIDE CHAIN
REMARK 500 3 ARG A 56 0.28 SIDE CHAIN
REMARK 500 3 ARG A 112 0.26 SIDE CHAIN
REMARK 500 4 ARG A 14 0.30 SIDE CHAIN
REMARK 500 4 ARG A 25 0.31 SIDE CHAIN
REMARK 500 4 ARG A 26 0.24 SIDE CHAIN
REMARK 500 4 ARG A 36 0.22 SIDE CHAIN
REMARK 500 4 ARG A 39 0.32 SIDE CHAIN
REMARK 500 4 ARG A 45 0.29 SIDE CHAIN
REMARK 500 4 ARG A 48 0.26 SIDE CHAIN
REMARK 500 4 ARG A 56 0.29 SIDE CHAIN
REMARK 500 4 ARG A 112 0.31 SIDE CHAIN
REMARK 500 5 ARG A 14 0.32 SIDE CHAIN
REMARK 500 5 ARG A 25 0.25 SIDE CHAIN
REMARK 500 5 ARG A 26 0.24 SIDE CHAIN
REMARK 500 5 ARG A 36 0.32 SIDE CHAIN
REMARK 500 5 ARG A 39 0.28 SIDE CHAIN
REMARK 500 5 ARG A 45 0.32 SIDE CHAIN
REMARK 500 5 ARG A 48 0.32 SIDE CHAIN
REMARK 500 5 ARG A 56 0.25 SIDE CHAIN
REMARK 500 5 ARG A 112 0.25 SIDE CHAIN
REMARK 500 6 ARG A 14 0.25 SIDE CHAIN
REMARK 500 6 ARG A 25 0.28 SIDE CHAIN
REMARK 500 6 ARG A 26 0.30 SIDE CHAIN
REMARK 500 6 ARG A 36 0.30 SIDE CHAIN
REMARK 500 6 ARG A 39 0.27 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 135 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1D4B A 1 116 UNP Q9UHD4 CIDEB_HUMAN 1 116
SEQRES 1 A 122 MET GLU TYR LEU SER ALA LEU ASN PRO SER ASP LEU LEU
SEQRES 2 A 122 ARG SER VAL SER ASN ILE SER SER GLU PHE GLY ARG ARG
SEQRES 3 A 122 VAL TRP THR SER ALA PRO PRO PRO GLN ARG PRO PHE ARG
SEQRES 4 A 122 VAL CYS ASP HIS LYS ARG THR ILE ARG LYS GLY LEU THR
SEQRES 5 A 122 ALA ALA THR ARG GLN GLU LEU LEU ALA LYS ALA LEU GLU
SEQRES 6 A 122 THR LEU LEU LEU ASN GLY VAL LEU THR LEU VAL LEU GLU
SEQRES 7 A 122 GLU ASP GLY THR ALA VAL ASP SER GLU ASP PHE PHE GLN
SEQRES 8 A 122 LEU LEU GLU ASP ASP THR CYS LEU MET VAL LEU GLN SER
SEQRES 9 A 122 GLY GLN SER TRP SER PRO THR ARG SER GLY VAL LEU HIS
SEQRES 10 A 122 HIS HIS HIS HIS HIS
HELIX 1 1 GLU A 58 LEU A 68 1 11
HELIX 2 2 GLU A 87 LEU A 93 1 7
SHEET 1 A 2 ARG A 36 CYS A 41 0
SHEET 2 A 2 ARG A 48 ALA A 53 -1 O LYS A 49 N VAL A 40
SHEET 1 B 3 THR A 82 VAL A 84 0
SHEET 2 B 3 THR A 74 LEU A 77 -1 O LEU A 75 N VAL A 84
SHEET 3 B 3 VAL A 101 LEU A 102 -1 N LEU A 102 O THR A 74
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