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HEADER SIGNALING PROTEIN 09-JUL-04 1TZ1 TITLE SOLUTION STRUCTURE OF THE PB1 DOMAIN OF CDC24P (SHORT FORM) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CELL DIVISION CONTROL PROTEIN 24; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PB1 DOMAIN (SHORT FORM); COMPND 5 SYNONYM: CALCIUM REGULATORY PROTEIN; COMPND 6 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 GENE: CDC24P; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PPROEX-HTB KEYWDS PB1 DOMAIN, PCCR, PC MOTIF, OPCA MOTIF, YEAST, CELL POLARITY, KEYWDS 2 PROTEIN-PROTEIN INTERACTION, SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR S.YOSHINAGA,H.TERASAWA,K.OGURA,Y.NODA,T.ITO,H.SUMIMOTO,F.INAGAKI REVDAT 3 02-MAR-22 1TZ1 1 REMARK SEQADV REVDAT 2 24-FEB-09 1TZ1 1 VERSN REVDAT 1 06-SEP-05 1TZ1 0 JRNL AUTH S.YOSHINAGA,H.TERASAWA,K.OGURA,Y.NODA,T.ITO,H.SUMIMOTO, JRNL AUTH 2 F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF THE PB1 DOMAIN OF CDC24P (SHORT FORM) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR, ARIA REMARK 3 AUTHORS : J.P.LINGE, S.I.O'DONOGHUE, M.NILGES (ARIA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TZ1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-JUL-04. REMARK 100 THE DEPOSITION ID IS D_1000023040. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.3 REMARK 210 IONIC STRENGTH : 50MM POTASSIUM PHOSPHATE BUFFER; REMARK 210 150MM SODIUM CHLORIDE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 OR 2MM CDC24P PB1 U-15N, 13C; REMARK 210 50MM POTASSIUM PHOSPHATE BUFFER; REMARK 210 150MM SODIUM CHLORIDE; 1MM REMARK 210 SODIUM AZIDE; 90% H2O, 10% D2O; REMARK 210 1 OR 2MM CDC24P PB1 U-15N, 13C; REMARK 210 50MM POTASSIUM PHOSPHATE BUFFER; REMARK 210 150MM SODIUM CHLORIDE; 1MM REMARK 210 SODIUM AZIDE; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY, 3D_HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS; INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, OLIVIA, ARIA, CNS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 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 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 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 LEU A 783 -166.44 -112.56 REMARK 500 1 SER A 803 85.05 -166.03 REMARK 500 1 ASN A 807 -70.53 -118.09 REMARK 500 1 ASN A 808 -73.47 -132.63 REMARK 500 1 THR A 814 -53.81 -144.57 REMARK 500 1 GLU A 821 35.96 -83.71 REMARK 500 1 ASP A 824 134.05 -174.02 REMARK 500 1 SER A 830 -137.95 -170.17 REMARK 500 1 ASN A 844 -73.18 -145.35 REMARK 500 1 ASN A 845 27.86 -179.26 REMARK 500 2 ASN A 804 -163.61 56.74 REMARK 500 2 ASN A 808 63.55 -110.47 REMARK 500 2 SER A 811 94.87 59.79 REMARK 500 2 PRO A 812 -169.83 -59.18 REMARK 500 2 THR A 814 -64.23 -133.44 REMARK 500 2 GLU A 821 38.61 -82.86 REMARK 500 2 SER A 830 -141.97 -161.75 REMARK 500 2 ASN A 844 16.56 -146.53 REMARK 500 2 ASN A 845 19.60 59.93 REMARK 500 2 LYS A 847 -30.83 -152.07 REMARK 500 2 ARG A 852 -86.52 -44.84 REMARK 500 3 PHE A 781 97.45 -160.37 REMARK 500 3 LYS A 787 35.46 -88.98 REMARK 500 3 VAL A 788 -28.38 -150.77 REMARK 500 3 SER A 803 92.03 -165.29 REMARK 500 3 ASN A 809 -41.47 -167.25 REMARK 500 3 ASP A 824 142.44 -174.08 REMARK 500 3 SER A 830 -136.75 -171.07 REMARK 500 3 ASN A 844 -71.20 -149.74 REMARK 500 3 ASN A 845 26.33 -177.82 REMARK 500 4 MET A 777 70.63 55.30 REMARK 500 4 ILE A 780 -160.09 -127.10 REMARK 500 4 LEU A 783 -167.45 -116.90 REMARK 500 4 THR A 805 71.98 55.94 REMARK 500 4 HIS A 806 -80.90 -130.69 REMARK 500 4 ASN A 807 -71.03 -146.40 REMARK 500 4 ASN A 808 0.93 -173.34 REMARK 500 4 THR A 814 -40.42 -158.57 REMARK 500 4 ASP A 824 -147.35 -143.49 REMARK 500 4 SER A 830 -136.87 -167.79 REMARK 500 4 GLU A 832 -70.40 -74.89 REMARK 500 4 ASN A 844 -71.22 -147.67 REMARK 500 4 ASN A 845 30.18 177.36 REMARK 500 4 ARG A 852 -82.55 -44.10 REMARK 500 5 PHE A 781 95.44 -160.46 REMARK 500 5 VAL A 788 -28.58 -164.53 REMARK 500 5 THR A 805 79.28 55.20 REMARK 500 5 HIS A 806 -83.06 62.25 REMARK 500 5 ASN A 807 179.41 63.85 REMARK 500 5 SER A 811 143.50 64.71 REMARK 500 REMARK 500 THIS ENTRY HAS 257 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Q1O RELATED DB: PDB REMARK 900 THE LONGER FORM OF THIS CONSTRUCT REMARK 900 RELATED ID: 1IP9 RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY AND THE BINDING PARTNER REMARK 900 RELATED ID: 1IPG RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY AND THE BINDING PARTNER DBREF 1TZ1 A 780 854 UNP P11433 CDC24_YEAST 780 854 SEQADV 1TZ1 GLY A 775 UNP P11433 CLONING ARTIFACT SEQADV 1TZ1 ALA A 776 UNP P11433 CLONING ARTIFACT SEQADV 1TZ1 MET A 777 UNP P11433 CLONING ARTIFACT SEQADV 1TZ1 GLY A 778 UNP P11433 CLONING ARTIFACT SEQADV 1TZ1 SER A 779 UNP P11433 CLONING ARTIFACT SEQRES 1 A 80 GLY ALA MET GLY SER ILE PHE THR LEU LEU VAL GLU LYS SEQRES 2 A 80 VAL TRP ASN PHE ASP ASP LEU ILE MET ALA ILE ASN SER SEQRES 3 A 80 LYS ILE SER ASN THR HIS ASN ASN ASN ILE SER PRO ILE SEQRES 4 A 80 THR LYS ILE LYS TYR GLN ASP GLU ASP GLY ASP PHE VAL SEQRES 5 A 80 VAL LEU GLY SER ASP GLU ASP TRP ASN VAL ALA LYS GLU SEQRES 6 A 80 MET LEU ALA GLU ASN ASN GLU LYS PHE LEU ASN ILE ARG SEQRES 7 A 80 LEU TYR HELIX 1 1 ASN A 790 SER A 803 1 14 HELIX 2 2 SER A 830 ALA A 842 1 13 SHEET 1 A 2 LEU A 783 LEU A 784 0 SHEET 2 A 2 PHE A 848 LEU A 849 -1 O LEU A 849 N LEU A 783 SHEET 1 B 2 LYS A 817 GLN A 819 0 SHEET 2 B 2 PHE A 825 VAL A 827 -1 O VAL A 826 N TYR A 818 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 - r 2 2 Bytes