Header list of 2ami.pdb file
Complete list - b 12 2 Bytes
HEADER CELL CYCLE 09-AUG-05 2AMI
TITLE SOLUTION STRUCTURE OF THE CALCIUM-LOADED N-TERMINAL SENSOR DOMAIN OF
TITLE 2 CENTRIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CALTRACTIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL DOMAIN;
COMPND 5 SYNONYM: CENTRIN, 20 KDA CALCIUM-BINDING PROTEIN;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII;
SOURCE 3 ORGANISM_TAXID: 3055;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PRSET-A
KEYWDS FOUR-HELIX BUNDLE, CALCIUM SENSOR, EF-HAND CALCIUM BINDING PROTEIN,
KEYWDS 2 CALMODULIN, CENTRIN, CELL CYCLE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.T.HU,P.A.FAGAN,C.G.BUNICK,J.H.SHEEHAN,W.J.CHAZIN
REVDAT 3 22-JAN-14 2AMI 1 JRNL VERSN
REVDAT 2 24-FEB-09 2AMI 1 VERSN
REVDAT 1 23-AUG-05 2AMI 0
JRNL AUTH J.H.SHEEHAN,C.G.BUNICK,H.HU,P.A.FAGAN,S.M.MEYN,W.J.CHAZIN
JRNL TITL STRUCTURE OF THE N-TERMINAL CALCIUM SENSOR DOMAIN OF CENTRIN
JRNL TITL 2 REVEALS THE BIOCHEMICAL BASIS FOR DOMAIN-SPECIFIC FUNCTION.
JRNL REF J.BIOL.CHEM. V. 281 2876 2006
JRNL REFN ISSN 0021-9258
JRNL PMID 16317001
JRNL DOI 10.1074/JBC.M509886200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER 7.0
REMARK 3 AUTHORS : PEARLMAN, D.A.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: A TOTAL OF 1248 EXPERIMENTALLY DERIVED
REMARK 3 NMR RESTRAINTS (1108 NOE-BASED DISTANCE RESTRAINTS, 24 HYDROGEN
REMARK 3 BOND DISTANCE RESTRAINTS, 116 BACKBONE TORSION ANGLE RESTRAINTS)
REMARK 3 WERE USED IN THE STRUCTURE CALCULATIONS.
REMARK 4
REMARK 4 2AMI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-AUG-05.
REMARK 100 THE RCSB ID CODE IS RCSB034066.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7
REMARK 210 IONIC STRENGTH : 5-10MM CACL2
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1-2MM CENTRIN UNLABELED; 25MM
REMARK 210 TRIS-D11, 5-10MM CACL2, PH 7.0;
REMARK 210 90% H2O, 10% D2O; 1-2MM CENTRIN U
REMARK 210 -15N; 25MM TRIS-D11, 5-10MM
REMARK 210 CACL2, PH 7.0; 90% H2O, 10% D2O;
REMARK 210 1-2MM CENTRIN U-13C; 25MM TRIS-
REMARK 210 D11, 5-10MM CACL2, PH 7.0; 100%
REMARK 210 D2O; 1-2MM CENTRIN U-15N,13C;
REMARK 210 25MM TRIS-D11, 5-10MM CACL2, PH
REMARK 210 7.0; 90% H2O, 10% D2O; 1-2MM
REMARK 210 CENTRIN 10%-13C; 25MM TRIS-D11,
REMARK 210 5-10MM CACL2, PH 7.0; 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D 15N-NOESY-HSQC; 3D
REMARK 210 13C-NOESY-HSQC; 4D 13C-HMQC-NOESY
REMARK 210 -HMQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000, SANE 1, DYANA 1.5,
REMARK 210 XWINNMR 2.6
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
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: 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 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 1-20
REMARK 465 RES C SSSEQI
REMARK 465 GLY A -19
REMARK 465 SER A -18
REMARK 465 MET A -17
REMARK 465 SER A -16
REMARK 465 TYR A -15
REMARK 465 LYS A -14
REMARK 465 ALA A -13
REMARK 465 LYS A -12
REMARK 465 THR A -11
REMARK 465 VAL A -10
REMARK 465 VAL A -9
REMARK 465 SER A -8
REMARK 465 ALA A -7
REMARK 465 ARG A -6
REMARK 465 ARG A -5
REMARK 465 ASP A -4
REMARK 465 GLN A -3
REMARK 465 LYS A -2
REMARK 465 LYS A -1
REMARK 465 GLY A 0
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 2 PRO A 43 77.19 -56.87
REMARK 500 2 LYS A 44 82.50 -65.84
REMARK 500 2 SER A 60 38.82 -78.48
REMARK 500 3 PRO A 43 66.02 -58.48
REMARK 500 3 LYS A 44 90.16 -68.94
REMARK 500 3 ASP A 58 -44.02 -130.53
REMARK 500 5 PRO A 43 88.28 -54.47
REMARK 500 5 LYS A 44 82.38 -66.52
REMARK 500 6 PRO A 43 69.80 -59.96
REMARK 500 6 LYS A 44 88.84 -67.49
REMARK 500 6 ASP A 58 -27.49 -142.48
REMARK 500 7 LYS A 44 98.68 -62.14
REMARK 500 8 ASP A 20 40.21 -77.28
REMARK 500 8 PRO A 43 76.93 -56.30
REMARK 500 8 LYS A 44 80.38 -65.70
REMARK 500 8 ASP A 58 -27.04 -145.71
REMARK 500 8 SER A 60 70.01 49.67
REMARK 500 9 PRO A 43 76.11 -55.79
REMARK 500 9 LYS A 44 84.01 -67.41
REMARK 500 9 ASP A 58 -32.63 -134.75
REMARK 500 9 LYS A 75 48.77 -83.14
REMARK 500 10 PRO A 43 75.26 -54.95
REMARK 500 10 LYS A 44 85.04 -65.07
REMARK 500 11 ASP A 56 46.41 -80.03
REMARK 500 12 ASP A 20 29.27 -70.91
REMARK 500 12 SER A 24 47.83 39.38
REMARK 500 12 PRO A 43 71.67 -56.86
REMARK 500 12 LYS A 44 85.34 -68.36
REMARK 500 12 SER A 60 39.56 -79.56
REMARK 500 13 PRO A 43 83.87 -68.46
REMARK 500 13 LYS A 44 90.20 -60.07
REMARK 500 14 SER A 24 44.66 -82.63
REMARK 500 14 LYS A 44 97.42 -60.74
REMARK 500 15 ASP A 20 47.18 -76.31
REMARK 500 15 PRO A 43 73.34 -55.35
REMARK 500 15 LYS A 44 90.73 -68.99
REMARK 500 15 ASP A 58 -28.27 -142.12
REMARK 500 15 SER A 60 70.45 50.82
REMARK 500 15 LYS A 75 92.64 74.48
REMARK 500 16 PRO A 43 74.21 -57.36
REMARK 500 16 LYS A 44 85.26 -66.15
REMARK 500 16 SER A 60 49.41 -85.89
REMARK 500 17 PRO A 43 73.66 -58.87
REMARK 500 17 LYS A 44 96.30 -67.96
REMARK 500 18 VAL A 2 -67.26 67.88
REMARK 500 18 PRO A 43 66.77 -60.98
REMARK 500 19 VAL A 2 45.69 -74.04
REMARK 500 19 ASP A 20 31.68 -72.74
REMARK 500 19 SER A 24 55.85 38.17
REMARK 500 19 LYS A 44 90.54 -59.79
REMARK 500
REMARK 500 THIS ENTRY HAS 53 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 5 ARG A 1 0.09 SIDE CHAIN
REMARK 500 5 ARG A 37 0.12 SIDE CHAIN
REMARK 500 6 ARG A 37 0.10 SIDE CHAIN
REMARK 500 17 PHE A 65 0.07 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2AMI A -17 76 UNP P05434 CATR_CHLRE 1 94
SEQADV 2AMI GLY A -19 UNP P05434 CLONING ARTIFACT
SEQADV 2AMI SER A -18 UNP P05434 CLONING ARTIFACT
SEQRES 1 A 96 GLY SER MET SER TYR LYS ALA LYS THR VAL VAL SER ALA
SEQRES 2 A 96 ARG ARG ASP GLN LYS LYS GLY ARG VAL GLY LEU THR GLU
SEQRES 3 A 96 GLU GLN LYS GLN GLU ILE ARG GLU ALA PHE ASP LEU PHE
SEQRES 4 A 96 ASP THR ASP GLY SER GLY THR ILE ASP ALA LYS GLU LEU
SEQRES 5 A 96 LYS VAL ALA MET ARG ALA LEU GLY PHE GLU PRO LYS LYS
SEQRES 6 A 96 GLU GLU ILE LYS LYS MET ILE SER GLU ILE ASP LYS ASP
SEQRES 7 A 96 GLY SER GLY THR ILE ASP PHE GLU GLU PHE LEU THR MET
SEQRES 8 A 96 MET THR ALA LYS MET
HELIX 1 1 THR A 5 ASP A 20 1 16
HELIX 2 2 ALA A 29 LEU A 39 1 11
HELIX 3 3 LYS A 44 ASP A 56 1 13
HELIX 4 4 PHE A 65 MET A 76 1 12
SHEET 1 A 2 THR A 26 ASP A 28 0
SHEET 2 A 2 THR A 62 ASP A 64 -1 O ILE A 63 N ILE A 27
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 12 2 Bytes