Header list of 1kxl.pdb file
Complete list - b 23 2 Bytes
HEADER CELL CYCLE 31-JAN-02 1KXL
TITLE SOLUTION STRUCTURE OF THE CDC13 DNA-BINDING DOMAIN IN A COMPLEX WITH
TITLE 2 SINGLE-STRANDED TELOMERIC DNA (DNA STRUCTURE NOT MODELED)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CELL DIVISION CONTROL PROTEIN 13;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DNA-BINDING DOMAIN (RESIDUES 497-694);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21A
KEYWDS DNA-BINDING DOMAIN, TELOMERE, SINGLE-STRANDED DNA, OB FOLD, CELL
KEYWDS 2 CYCLE
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR R.M.MITTON-FRY,E.M.ANDERSON,D.S.WUTTKE
REVDAT 3 23-FEB-22 1KXL 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1KXL 1 VERSN
REVDAT 1 10-APR-02 1KXL 0
JRNL AUTH R.M.MITTON-FRY,E.M.ANDERSON,T.R.HUGHES,V.LUNDBLAD,D.S.WUTTKE
JRNL TITL CONSERVED STRUCTURE FOR SINGLE-STRANDED TELOMERIC DNA
JRNL TITL 2 RECOGNITION.
JRNL REF SCIENCE V. 296 145 2002
JRNL REFN ISSN 0036-8075
JRNL PMID 11935027
JRNL DOI 10.1126/SCIENCE.1068799
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, X-PLOR 3.851
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: DNA STRUCTURE NOT MODELED DUE TO
REMARK 3 CHEMICAL SHIFT ASSIGNMENT AMBIGUITY.
REMARK 4
REMARK 4 1KXL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-FEB-02.
REMARK 100 THE DEPOSITION ID IS D_1000015440.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 308
REMARK 210 PH : 7.0; 7.0
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : NULL; NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 4D_13C/15N-
REMARK 210 SEPARATED_NOESY; 4D_13C-
REMARK 210 SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; DRX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : ANSIG 3.3, X-PLOR 3.851
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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 : 10
REMARK 210
REMARK 210 REMARK: REPRESENTATIVE CONFORMER WAS STRUCTURE CLOSEST TO THE
REMARK 210 MEAN.
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 MODELS 1-10
REMARK 465 RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 ARG A 2
REMARK 465 MET A 3
REMARK 465 SER A 4
REMARK 465 HIS A 192
REMARK 465 ARG A 193
REMARK 465 ASN A 194
REMARK 465 GLY A 195
REMARK 465 SER A 196
REMARK 465 HIS A 197
REMARK 465 LEU A 198
REMARK 465 ALA A 199
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 PHE A 182 H ARG A 186 1.50
REMARK 500 O GLU A 14 H GLN A 17 1.51
REMARK 500 O GLU A 90 H SER A 94 1.52
REMARK 500 O PRO A 156 H GLN A 158 1.56
REMARK 500 O GLY A 103 H ASP A 106 1.57
REMARK 500 O ASP A 93 H ARG A 97 1.58
REMARK 500 O GLN A 149 H SER A 152 1.60
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 ALA A 7 80.85 55.98
REMARK 500 1 ARG A 8 -143.13 -74.17
REMARK 500 1 ILE A 13 -154.91 -146.43
REMARK 500 1 LEU A 18 -92.70 -40.19
REMARK 500 1 LEU A 20 -175.94 -56.14
REMARK 500 1 ASP A 21 -137.28 176.58
REMARK 500 1 THR A 22 -65.26 -102.76
REMARK 500 1 GLU A 24 -93.16 -7.86
REMARK 500 1 THR A 25 79.82 59.35
REMARK 500 1 LEU A 34 130.02 79.34
REMARK 500 1 PHE A 39 30.67 -97.80
REMARK 500 1 PHE A 44 -179.19 177.13
REMARK 500 1 SER A 50 -177.25 -176.55
REMARK 500 1 ASP A 51 -162.75 76.64
REMARK 500 1 PHE A 52 -51.65 75.01
REMARK 500 1 THR A 53 -137.39 -162.66
REMARK 500 1 GLN A 59 -150.18 34.01
REMARK 500 1 ASN A 60 -143.93 -123.23
REMARK 500 1 LEU A 62 99.57 71.76
REMARK 500 1 ASP A 64 175.40 66.29
REMARK 500 1 LEU A 67 -162.19 36.20
REMARK 500 1 ILE A 68 -71.92 -64.58
REMARK 500 1 LYS A 73 126.13 -37.84
REMARK 500 1 LEU A 74 178.66 -52.25
REMARK 500 1 ASN A 77 50.76 -94.57
REMARK 500 1 GLU A 78 -35.76 -159.06
REMARK 500 1 PHE A 100 -89.26 -123.78
REMARK 500 1 ASN A 101 -28.93 176.77
REMARK 500 1 ASN A 109 26.82 40.18
REMARK 500 1 ARG A 111 -74.96 -45.50
REMARK 500 1 SER A 116 -24.88 167.36
REMARK 500 1 GLN A 117 54.40 -98.63
REMARK 500 1 TYR A 118 -51.26 -134.12
REMARK 500 1 LYS A 129 176.50 170.66
REMARK 500 1 TYR A 131 -62.26 -144.70
REMARK 500 1 LYS A 134 -156.47 -122.76
REMARK 500 1 CYS A 142 99.04 -178.14
REMARK 500 1 PRO A 146 -89.07 -71.54
REMARK 500 1 HIS A 147 -39.57 -166.42
REMARK 500 1 SER A 155 173.45 -52.93
REMARK 500 1 SER A 157 -59.39 68.01
REMARK 500 1 TYR A 181 51.48 -143.44
REMARK 500 1 ARG A 187 -29.89 -36.66
REMARK 500 1 PHE A 189 154.76 63.80
REMARK 500 2 MET A 6 -142.02 33.75
REMARK 500 2 ALA A 7 44.86 173.87
REMARK 500 2 ASP A 10 74.12 167.87
REMARK 500 2 ILE A 13 -152.99 -157.52
REMARK 500 2 GLU A 14 91.62 175.78
REMARK 500 2 PHE A 15 -76.67 54.37
REMARK 500
REMARK 500 THIS ENTRY HAS 422 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 8 0.31 SIDE CHAIN
REMARK 500 1 ARG A 65 0.22 SIDE CHAIN
REMARK 500 1 ARG A 97 0.24 SIDE CHAIN
REMARK 500 1 ARG A 105 0.31 SIDE CHAIN
REMARK 500 1 ARG A 111 0.28 SIDE CHAIN
REMARK 500 1 ARG A 140 0.29 SIDE CHAIN
REMARK 500 1 ARG A 163 0.29 SIDE CHAIN
REMARK 500 1 ARG A 168 0.32 SIDE CHAIN
REMARK 500 1 ARG A 172 0.30 SIDE CHAIN
REMARK 500 1 ARG A 180 0.30 SIDE CHAIN
REMARK 500 1 ARG A 187 0.28 SIDE CHAIN
REMARK 500 2 ARG A 8 0.25 SIDE CHAIN
REMARK 500 2 ARG A 65 0.24 SIDE CHAIN
REMARK 500 2 ARG A 97 0.17 SIDE CHAIN
REMARK 500 2 ARG A 105 0.30 SIDE CHAIN
REMARK 500 2 ARG A 111 0.31 SIDE CHAIN
REMARK 500 2 ARG A 140 0.29 SIDE CHAIN
REMARK 500 2 ARG A 163 0.11 SIDE CHAIN
REMARK 500 2 ARG A 168 0.22 SIDE CHAIN
REMARK 500 2 ARG A 172 0.29 SIDE CHAIN
REMARK 500 2 ARG A 180 0.30 SIDE CHAIN
REMARK 500 2 ARG A 186 0.28 SIDE CHAIN
REMARK 500 3 ARG A 8 0.28 SIDE CHAIN
REMARK 500 3 ARG A 65 0.32 SIDE CHAIN
REMARK 500 3 ARG A 97 0.31 SIDE CHAIN
REMARK 500 3 ARG A 105 0.28 SIDE CHAIN
REMARK 500 3 ARG A 111 0.20 SIDE CHAIN
REMARK 500 3 ARG A 140 0.28 SIDE CHAIN
REMARK 500 3 ARG A 163 0.31 SIDE CHAIN
REMARK 500 3 ARG A 168 0.22 SIDE CHAIN
REMARK 500 3 ARG A 172 0.30 SIDE CHAIN
REMARK 500 3 ARG A 186 0.19 SIDE CHAIN
REMARK 500 3 ARG A 187 0.31 SIDE CHAIN
REMARK 500 4 ARG A 8 0.32 SIDE CHAIN
REMARK 500 4 ARG A 65 0.18 SIDE CHAIN
REMARK 500 4 ARG A 97 0.22 SIDE CHAIN
REMARK 500 4 ARG A 105 0.27 SIDE CHAIN
REMARK 500 4 ARG A 111 0.31 SIDE CHAIN
REMARK 500 4 ARG A 140 0.13 SIDE CHAIN
REMARK 500 4 ARG A 163 0.29 SIDE CHAIN
REMARK 500 4 ARG A 168 0.30 SIDE CHAIN
REMARK 500 4 ARG A 172 0.31 SIDE CHAIN
REMARK 500 4 ARG A 180 0.20 SIDE CHAIN
REMARK 500 4 ARG A 186 0.11 SIDE CHAIN
REMARK 500 4 ARG A 187 0.20 SIDE CHAIN
REMARK 500 5 ARG A 8 0.32 SIDE CHAIN
REMARK 500 5 ARG A 65 0.31 SIDE CHAIN
REMARK 500 5 ARG A 97 0.18 SIDE CHAIN
REMARK 500 5 ARG A 105 0.27 SIDE CHAIN
REMARK 500 5 ARG A 111 0.20 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 115 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1KXL A 2 199 UNP P32797 CDC13_YEAST 497 694
SEQADV 1KXL MET A 1 UNP P32797 CLONING ARTIFACT
SEQRES 1 A 199 MET ARG MET SER LYS MET ALA ARG LYS ASP PRO THR ILE
SEQRES 2 A 199 GLU PHE CYS GLN LEU GLY LEU ASP THR PHE GLU THR LYS
SEQRES 3 A 199 TYR ILE THR MET PHE GLY MET LEU VAL SER CYS SER PHE
SEQRES 4 A 199 ASP LYS PRO ALA PHE ILE SER PHE VAL PHE SER ASP PHE
SEQRES 5 A 199 THR LYS ASN ASP ILE VAL GLN ASN TYR LEU TYR ASP ARG
SEQRES 6 A 199 TYR LEU ILE ASP TYR GLU ASN LYS LEU GLU LEU ASN GLU
SEQRES 7 A 199 GLY PHE LYS ALA ILE MET TYR LYS ASN GLN PHE GLU THR
SEQRES 8 A 199 PHE ASP SER LYS LEU ARG LYS ILE PHE ASN ASN GLY LEU
SEQRES 9 A 199 ARG ASP LEU GLN ASN GLY ARG ASP GLU ASN LEU SER GLN
SEQRES 10 A 199 TYR GLY ILE VAL CYS LYS MET ASN ILE LYS VAL LYS MET
SEQRES 11 A 199 TYR ASN GLY LYS LEU ASN ALA ILE VAL ARG GLU CYS GLU
SEQRES 12 A 199 PRO VAL PRO HIS SER GLN ILE SER SER ILE ALA SER PRO
SEQRES 13 A 199 SER GLN CYS GLU HIS LEU ARG LEU PHE TYR GLN ARG ALA
SEQRES 14 A 199 PHE LYS ARG ILE GLY GLU SER ALA ILE SER ARG TYR PHE
SEQRES 15 A 199 GLU GLU TYR ARG ARG PHE PHE PRO ILE HIS ARG ASN GLY
SEQRES 16 A 199 SER HIS LEU ALA
HELIX 1 1 LYS A 86 LYS A 98 1 13
HELIX 2 2 GLY A 103 GLN A 108 1 6
HELIX 3 3 GLN A 149 ALA A 154 1 6
HELIX 4 4 SER A 157 GLY A 174 1 18
HELIX 5 5 GLY A 174 TYR A 181 1 8
HELIX 6 6 TYR A 181 ARG A 186 1 6
SHEET 1 A 3 LYS A 26 MET A 30 0
SHEET 2 A 3 CYS A 122 LYS A 129 -1 O ILE A 126 N ILE A 28
SHEET 3 A 3 ASN A 136 VAL A 139 -1 O ASN A 136 N LYS A 129
SHEET 1 B 3 LYS A 26 MET A 30 0
SHEET 2 B 3 CYS A 122 LYS A 129 -1 O ILE A 126 N ILE A 28
SHEET 3 B 3 GLU A 143 PRO A 144 -1 O GLU A 143 N LYS A 123
SHEET 1 C 3 SER A 36 SER A 38 0
SHEET 2 C 3 PHE A 44 PHE A 49 -1 O VAL A 48 N SER A 36
SHEET 3 C 3 PHE A 80 TYR A 85 -1 O ALA A 82 N PHE A 47
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 23 2 Bytes