Header list of 1onv.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSCRIPTION 02-MAR-03 1ONV TITLE NMR STRUCTURE OF A COMPLEX CONTAINING THE TFIIF SUBUNIT RAP74 AND THE TITLE 2 RNAP II CTD PHOSPHATASE FCP1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTION INITIATION FACTOR IIF, ALPHA SUBUNIT; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN OF RAP74, SEQUENCE DATABASE RESIDUES 436- COMPND 5 517; COMPND 6 SYNONYM: TFIIF-ALFA, TRANSCRIPTION INITIATION FACTOR RAP74; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: SERINE PHOSPHATASE FCP1A; COMPND 10 CHAIN: B; COMPND 11 FRAGMENT: C-TERMINAL DOMAIN OF FCP1, SEQUENCE DATABASE RESIDUES 760- COMPND 12 842; COMPND 13 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 BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: GST-2T; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 12 ORGANISM_COMMON: HUMAN; SOURCE 13 ORGANISM_TAXID: 9606; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 15 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX; SOURCE 18 EXPRESSION_SYSTEM_PLASMID: GST-3X KEYWDS TRANSCRIPTION FACTOR, HUMAN GENERAL TRANSCRIPTION FACTOR TFIIF, KEYWDS 2 RAP74, RNA POLYMERASE II CTD PHOSPHATASE, TFIIF-ASSOCIATING CTD KEYWDS 3 PHOSPHATASE, FCP1, TRANSCRIPTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR B.D.NGUYEN,K.L.ABBOTT,K.POTEMPA,M.S.KOBOR,J.ARCHAMBAULT,J.GREENBLATT, AUTHOR 2 P.LEGAULT,J.G.OMICHINSKI REVDAT 3 23-FEB-22 1ONV 1 REMARK REVDAT 2 24-FEB-09 1ONV 1 VERSN REVDAT 1 20-MAY-03 1ONV 0 JRNL AUTH B.D.NGUYEN,K.L.ABBOTT,K.POTEMPA,M.S.KOBOR,J.ARCHAMBAULT, JRNL AUTH 2 J.GREENBLATT,P.LEGAULT,J.G.OMICHINSKI JRNL TITL NMR STRUCTURE OF A COMPLEX CONTAINING THE TFIIF SUBUNIT JRNL TITL 2 RAP74 AND THE RNA POLYMERASE II CARBOXYL-TERMINAL DOMAIN JRNL TITL 3 PHOSPHATASE FCP1 JRNL REF PROC.NATL.ACAD.SCI.USA V. 100 5688 2003 JRNL REFN ISSN 0027-8424 JRNL PMID 12732728 JRNL DOI 10.1073/PNAS.1031524100 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0, CNS MODIFIED CNS WITH CONFORMATIONAL REMARK 3 DATABASE POTENTIAL REMARK 3 AUTHORS : BRUNGER (CNS), KAY AND CHOY, CLORES (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES WERE DETERMINED BASED ON REMARK 3 A TOTAL OF 1267 RESTRAINTS, 1131 NOE-DERIVED DISTANCE RESTRAINTS REMARK 3 (INCLUDING 58 INTERMOLECULAR NOE-DERIVED DISTANCE RESTRAINTS) REMARK 3 AND 136 DIHEDRAL ANGLE RESTRAINTS REMARK 4 REMARK 4 1ONV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-MAR-03. REMARK 100 THE DEPOSITION ID IS D_1000018482. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 20MM SODIUM PHOSPHATE BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM CTERRAP74/CTERFCP1, 20MM REMARK 210 SODIUM PHOSPHATE, AND 1MM EDTA; REMARK 210 1MM U-15N CTERRAP74/CTERFCP1, REMARK 210 20MM SODIUM PHOSPHATE, AND 1MM REMARK 210 EDTA; 1MM U-15N,13C CTERRAP74/ REMARK 210 CTERFCP1, 20MM SODIUM PHOSPHATE, REMARK 210 AND 1MM EDTA; 1MM CTERRAP74/U- REMARK 210 15N CTERFCP1, 20MM SODIUM REMARK 210 PHOSPHATE, AND 1MM EDTA; 1MM REMARK 210 CTERRAP74/U-15N,13C CTERFCP1, REMARK 210 20MM SODIUM PHOSPHATE, AND 1MM REMARK 210 EDTA; 1MM U-15N,C13 CTERRAP74/ REMARK 210 CTERFCP1, 20MM SODIUM PHOSPHATE, REMARK 210 AND 1MM EDTA;; 1MM CTERRAP74/U- REMARK 210 15N,13C CTERFCP1, 20MM SODIUM REMARK 210 PHOSPHATE, AND 1MM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; HNCO, (HB) REMARK 210 CBCA(CO)NNH, HNCACB, H(CCO)NNH- REMARK 210 TOCSY, C(CO)NNH-TOCSY; 3D_13C- REMARK 210 SEPARATED_NOESY; 2D 13C-FILTERD/ REMARK 210 EDITED NOESY; 3D 13C-FILTERD/ REMARK 210 EDITED NOESY; 3D 15N/13C REMARK 210 SEPARATED NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, PIPP, NMRVIEW 5.0 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 70 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY,STRUCTURES REMARK 210 WITH THE LEAST RESTRAINT REMARK 210 VIOLATIONS,STRUCTURES WITH THE REMARK 210 LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 SER A 436 REMARK 465 THR A 437 REMARK 465 PRO A 438 REMARK 465 GLN A 439 REMARK 465 PRO A 440 REMARK 465 PRO A 441 REMARK 465 SER A 442 REMARK 465 GLY A 443 REMARK 465 LYS A 444 REMARK 465 THR A 445 REMARK 465 THR A 446 REMARK 465 PRO A 447 REMARK 465 ASN A 448 REMARK 465 SER A 449 REMARK 465 GLY A 450 REMARK 465 PRO B 879 REMARK 465 GLU B 880 REMARK 465 GLU B 881 REMARK 465 GLN B 882 REMARK 465 GLU B 883 REMARK 465 GLU B 884 REMARK 465 GLU B 885 REMARK 465 PRO B 886 REMARK 465 GLN B 887 REMARK 465 PRO B 888 REMARK 465 ARG B 889 REMARK 465 LYS B 890 REMARK 465 PRO B 891 REMARK 465 GLY B 892 REMARK 465 THR B 893 REMARK 465 ARG B 894 REMARK 465 ARG B 895 REMARK 465 GLU B 896 REMARK 465 ARG B 897 REMARK 465 THR B 898 REMARK 465 LEU B 899 REMARK 465 GLY B 900 REMARK 465 ALA B 901 REMARK 465 PRO B 902 REMARK 465 ALA B 903 REMARK 465 SER B 904 REMARK 465 SER B 905 REMARK 465 GLU B 906 REMARK 465 ARG B 907 REMARK 465 SER B 908 REMARK 465 ALA B 909 REMARK 465 ALA B 910 REMARK 465 GLY B 911 REMARK 465 GLY B 912 REMARK 465 ARG B 913 REMARK 465 GLY B 914 REMARK 465 PRO B 915 REMARK 465 ARG B 916 REMARK 465 GLY B 917 REMARK 465 HIS B 918 REMARK 465 LYS B 919 REMARK 465 ARG B 920 REMARK 465 LYS B 921 REMARK 465 LEU B 922 REMARK 465 ASN B 923 REMARK 465 GLU B 924 REMARK 465 GLU B 925 REMARK 465 ASP B 926 REMARK 465 ALA B 927 REMARK 465 ALA B 928 REMARK 465 SER B 929 REMARK 465 GLU B 930 REMARK 465 SER B 931 REMARK 465 SER B 932 REMARK 465 ARG B 933 REMARK 465 GLU B 934 REMARK 465 SER B 935 REMARK 465 SER B 936 REMARK 465 ASN B 937 REMARK 465 GLU B 938 REMARK 465 ASP B 939 REMARK 465 GLU B 940 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 THR A 479 33.97 -169.75 REMARK 500 1 LYS A 481 -44.44 -130.78 REMARK 500 1 PRO A 502 -168.39 -75.83 REMARK 500 1 SER B 944 -66.03 -165.70 REMARK 500 2 THR A 479 34.27 -170.62 REMARK 500 2 LYS A 481 29.73 -162.57 REMARK 500 2 SER B 944 -52.92 -172.20 REMARK 500 3 PHE A 477 -72.13 -87.78 REMARK 500 3 LYS A 481 -160.15 53.42 REMARK 500 3 THR A 482 -59.95 72.29 REMARK 500 3 ASN A 508 -78.62 63.25 REMARK 500 3 ASP A 509 29.24 -160.12 REMARK 500 3 SER B 944 -64.77 -176.88 REMARK 500 4 PHE A 477 47.74 -157.15 REMARK 500 4 LYS A 481 83.01 -66.00 REMARK 500 4 SER B 944 -58.24 -160.13 REMARK 500 5 THR A 479 87.07 -158.18 REMARK 500 6 THR A 479 93.18 -55.68 REMARK 500 6 SER B 943 34.89 -170.34 REMARK 500 6 SER B 944 -75.57 -124.50 REMARK 500 7 LYS A 481 84.50 -61.88 REMARK 500 7 SER B 944 -56.22 -162.37 REMARK 500 8 THR A 479 90.48 -56.37 REMARK 500 8 LYS A 480 -76.64 -132.89 REMARK 500 8 SER B 943 -50.06 -150.80 REMARK 500 8 SER B 944 -70.00 67.39 REMARK 500 9 GLN A 478 -52.17 -176.39 REMARK 500 9 LYS A 480 -69.68 -97.71 REMARK 500 9 LYS A 481 48.00 -176.32 REMARK 500 9 PRO A 502 -168.59 -77.06 REMARK 500 9 SER B 944 -63.88 -133.09 REMARK 500 10 PHE A 477 66.91 -151.75 REMARK 500 10 LYS A 480 -173.93 -65.77 REMARK 500 10 SER B 943 81.46 59.10 REMARK 500 10 SER B 944 -52.12 -160.41 REMARK 500 11 THR A 479 27.11 -157.67 REMARK 500 11 LYS A 481 100.49 -175.77 REMARK 500 11 THR A 482 -44.66 -155.08 REMARK 500 11 PRO A 502 -167.71 -73.87 REMARK 500 11 SER B 943 -176.88 59.45 REMARK 500 11 SER B 944 -65.33 69.44 REMARK 500 12 THR A 479 47.09 -175.67 REMARK 500 12 LYS A 481 66.20 -69.68 REMARK 500 12 SER B 942 77.84 58.91 REMARK 500 12 SER B 943 37.03 -174.44 REMARK 500 13 LYS A 480 -76.72 -102.21 REMARK 500 13 LYS A 481 28.67 -153.95 REMARK 500 14 GLN A 478 -61.97 -128.18 REMARK 500 15 THR A 482 23.61 -150.63 REMARK 500 15 SER B 942 91.02 59.28 REMARK 500 REMARK 500 THIS ENTRY HAS 66 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1ONV A 436 517 UNP P35269 T2FA_HUMAN 436 517 DBREF 1ONV B 879 961 UNP Q9Y5B0 CTDP1_HUMAN 760 842 SEQRES 1 A 82 SER THR PRO GLN PRO PRO SER GLY LYS THR THR PRO ASN SEQRES 2 A 82 SER GLY ASP VAL GLN VAL THR GLU ASP ALA VAL ARG ARG SEQRES 3 A 82 TYR LEU THR ARG LYS PRO MET THR THR LYS ASP LEU LEU SEQRES 4 A 82 LYS LYS PHE GLN THR LYS LYS THR GLY LEU SER SER GLU SEQRES 5 A 82 GLN THR VAL ASN VAL LEU ALA GLN ILE LEU LYS ARG LEU SEQRES 6 A 82 ASN PRO GLU ARG LYS MET ILE ASN ASP LYS MET HIS PHE SEQRES 7 A 82 SER LEU LYS GLU SEQRES 1 B 83 PRO GLU GLU GLN GLU GLU GLU PRO GLN PRO ARG LYS PRO SEQRES 2 B 83 GLY THR ARG ARG GLU ARG THR LEU GLY ALA PRO ALA SER SEQRES 3 B 83 SER GLU ARG SER ALA ALA GLY GLY ARG GLY PRO ARG GLY SEQRES 4 B 83 HIS LYS ARG LYS LEU ASN GLU GLU ASP ALA ALA SER GLU SEQRES 5 B 83 SER SER ARG GLU SER SER ASN GLU ASP GLU GLY SER SER SEQRES 6 B 83 SER GLU ALA ASP GLU MET ALA LYS ALA LEU GLU ALA GLU SEQRES 7 B 83 LEU ASN ASP LEU MET HELIX 1 1 THR A 455 LYS A 466 1 12 HELIX 2 2 THR A 469 PHE A 477 1 9 HELIX 3 3 SER A 485 ASN A 501 1 17 HELIX 4 4 SER B 944 ASN B 958 1 15 SHEET 1 A 2 GLU A 503 MET A 506 0 SHEET 2 A 2 MET A 511 SER A 514 -1 O HIS A 512 N LYS A 505 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