Header list of 1rt0.pdb file
Complete list - 31 20 Bytes
HEADER METAL BINDING PROTEIN 10-DEC-03 1RT0 TITLE 12-MER FROM SITE II CALBINDIN D9K (DKNGDGEVSFEE) COORDINATING ZN(II) COMPND MOL_ID: 1; COMPND 2 MOLECULE: VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 57-68 (SWS P02632); COMPND 5 SYNONYM: CABP, CALBINDIN D9K; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: OCCURS NATURALY IN MAMMALS CALCIUM BINDING PROTEIN AS SOURCE 4 THE SECOND CALCIUM BINDING SITE. PURCHASED TO COMMONWEALTH SOURCE 5 BIOTECHNOLOGIES, INC. AS THE TRIFLUOROACETATE SALT, PUR. MIN 95% KEYWDS EF-HAND TOXIC METAL ION TRANSPORT MODEL OF ICABP COORDINATION TOWARD KEYWDS 2 ZINC, METAL BINDING PROTEIN EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR R.FERRARI,G.MENDOZA,T.JAMES,M.TONELLI,V.BASUS,L.GASQUE REVDAT 3 31-JAN-18 1RT0 1 AUTHOR REMARK REVDAT 2 24-FEB-09 1RT0 1 VERSN REVDAT 1 26-JUL-05 1RT0 0 JRNL AUTH R.FERRARI,G.MENDOZA,T.JAMES,M.TONELLI,V.BASUS,L.GASQUE JRNL TITL COORDINATION COMPOUNDS DERIVED FROM A DODECAPEPTIDE AND JRNL TITL 2 PB2+, CD2+ AND ZN2+. MODELING THE SITE II FROM THE CALBINDIN JRNL TITL 3 D9K JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE 1.0, DYANA 1.5 REMARK 3 AUTHORS : F. DELAGLIO, S. GRZESIEK, G. W. VUISTER, G. ZHU, REMARK 3 J. PFEIFER, A. BAX (NMRPIPE), GUENTER, MUMENTHALER, REMARK 3 HERRMANN (DYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AFTER A MATRIX RELAXATION REMARK 4 REMARK 4 1RT0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JAN-04. REMARK 100 THE DEPOSITION ID IS D_1000021021. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : APROX 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3MM PEPTIDE AND ZN(NO3)2. NAOH REMARK 210 AND HNO3 ADDED FOR PH FIXING TO REMARK 210 7; 80% H2O, 20% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; NOESYJR REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MARDIGRAS 3.2, DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION 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 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 ASN A 3 -61.54 -148.88 REMARK 500 1 ASP A 5 -44.33 -131.64 REMARK 500 1 VAL A 8 40.89 29.33 REMARK 500 1 SER A 9 -154.02 35.57 REMARK 500 1 GLU A 11 55.91 38.51 REMARK 500 2 ASN A 3 -60.98 -142.38 REMARK 500 2 ASP A 5 -44.12 -131.79 REMARK 500 2 VAL A 8 40.84 29.30 REMARK 500 2 SER A 9 -153.37 35.48 REMARK 500 2 GLU A 11 56.05 38.86 REMARK 500 3 ASN A 3 -61.51 -147.96 REMARK 500 3 ASP A 5 -44.22 -131.83 REMARK 500 3 VAL A 8 41.05 29.50 REMARK 500 3 SER A 9 -153.57 35.56 REMARK 500 3 GLU A 11 56.00 38.68 REMARK 500 4 ASN A 3 -61.12 -145.44 REMARK 500 4 ASP A 5 -44.24 -131.88 REMARK 500 4 VAL A 8 40.85 29.57 REMARK 500 4 SER A 9 -153.73 35.51 REMARK 500 4 GLU A 11 56.18 38.39 REMARK 500 5 ASN A 3 -60.77 -138.29 REMARK 500 5 ASP A 5 -44.01 -131.97 REMARK 500 5 VAL A 8 40.80 29.45 REMARK 500 5 SER A 9 -153.38 35.64 REMARK 500 5 GLU A 11 55.75 38.48 REMARK 500 6 VAL A 8 40.37 31.69 REMARK 500 6 SER A 9 -159.77 39.95 REMARK 500 7 ASN A 3 -60.19 -143.74 REMARK 500 7 ASP A 5 -44.41 -132.33 REMARK 500 7 VAL A 8 40.46 29.63 REMARK 500 7 SER A 9 -153.33 34.99 REMARK 500 7 GLU A 11 58.96 37.38 REMARK 500 8 ASN A 3 -62.18 -123.19 REMARK 500 8 ASP A 5 -46.04 -132.96 REMARK 500 8 VAL A 8 44.64 28.93 REMARK 500 8 SER A 9 -157.46 42.93 REMARK 500 8 PHE A 10 -160.76 58.61 REMARK 500 8 GLU A 11 58.99 -99.85 REMARK 500 9 ASN A 3 -61.49 -122.79 REMARK 500 9 ASP A 5 -46.42 -133.26 REMARK 500 9 VAL A 8 44.45 29.02 REMARK 500 9 SER A 9 -157.08 42.59 REMARK 500 9 PHE A 10 -160.39 57.85 REMARK 500 9 GLU A 11 59.49 -99.63 REMARK 500 10 ASN A 3 -62.06 -127.14 REMARK 500 10 ASP A 5 -45.88 -133.11 REMARK 500 10 VAL A 8 44.56 29.01 REMARK 500 10 SER A 9 -155.86 43.12 REMARK 500 10 PHE A 10 -159.85 55.02 REMARK 500 10 GLU A 11 56.62 -99.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RSW RELATED DB: PDB REMARK 900 THE SAME PEPTIDE COMPLEXED WITH PB(II) REMARK 900 RELATED ID: 1RSX RELATED DB: PDB REMARK 900 THE SAME PEPTIDE COMPLEXED WITH CD DBREF 1RT0 A 1 12 UNP P02633 S100G_BOVIN 57 68 SEQRES 1 A 12 ASP LYS ASN GLY ASP GLY GLU VAL SER PHE GLU GLU 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 - 31 20 Bytes