Header list of 1l3g.pdb file
Complete list - b 23 2 Bytes
HEADER CELL CYCLE 27-FEB-02 1L3G TITLE NMR STRUCTURE OF THE DNA-BINDING DOMAIN OF CELL CYCLE PROTEIN, MBP1(2- TITLE 2 124) FROM SACCHAROMYCES CEREVISIAE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTION FACTOR MBP1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DNA-BINDING DOMAIN (RESIDUES 2-124); COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: MLU 1 CELL CYCLE BOX BINDING PROTEIN 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 KEYWDS CELL CYCLE, MLU 1 CELL CYCLE BOX BINDING PROTEIN, WINGED HELIX-TURN- KEYWDS 2 HELIX PROTEINS EXPDTA SOLUTION NMR NUMMDL 19 AUTHOR M.NAIR,P.B.MCINTOSH,T.A.FRENKIEL,G.KELLY,I.A.TAYLOR,S.J.SMERDON, AUTHOR 2 A.N.LANE REVDAT 3 23-FEB-22 1L3G 1 REMARK SEQADV REVDAT 2 24-FEB-09 1L3G 1 VERSN REVDAT 1 18-FEB-03 1L3G 0 JRNL AUTH M.NAIR,P.B.MCINTOSH,T.A.FRENKIEL,G.KELLY,I.A.TAYLOR, JRNL AUTH 2 S.J.SMERDON,A.N.LANE JRNL TITL NMR STRUCTURE OF THE DNA-BINDING DOMAIN OF THE CELL CYCLE JRNL TITL 2 PROTEIN MBP1 FROM SACCHAROMYCES CEREVISIAE JRNL REF BIOCHEMISTRY V. 42 1266 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12564929 JRNL DOI 10.1021/BI0205247 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5, X-PLOR 3.8 REMARK 3 AUTHORS : GUNTERT (DYANA), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 13 C-TERMINAL TAG RESIDUES (KLAAALEHHHHHH) REMARK 3 WERE EXCLUDED FROM STRUCTURE CALCULATIONS. REMARK 4 REMARK 4 1L3G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAR-02. REMARK 100 THE DEPOSITION ID IS D_1000015606. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 7.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : MBP1 U-15N,13C 40MM NA REMARK 210 -PHOSPHATE, 100MM NACL; MBP1 U- REMARK 210 15N, 40MM NA-PHOSPHATE, 100MM REMARK 210 NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA; UNITY; UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 1.8, VNMR 6.1B, TALOS REMARK 210 98.040.21.02 REMARK 210 METHOD USED : SIMULATED ANNEALING, ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 19 REMARK 210 CONFORMERS, SELECTION CRITERIA : A TOTAL OF 1000 CONFORMERS REMARK 210 CALCULATED. 100 CONFORMERS WITH REMARK 210 LOW TARGET FUNCTION SELECTED FOR REMARK 210 REFINEMENT. FINAL SET COMPRISES REMARK 210 19 CONFORMERS WITH LEAST REMARK 210 RESTRAINT VIOLATION. REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 9 REMARK 210 REMARK 210 REMARK: 2D J-MODULATED HSQC EXPERIMENTS WERE RECORDED ON REMARK 210 PARTIALLY ALIGNED U15N LABELLED SAMPLE TO REMARK 210 MEASURE RESIDUAL DIPOLAR COUPLINGS 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 1-19 REMARK 465 RES C SSSEQI REMARK 465 LYS A 125 REMARK 465 LEU A 126 REMARK 465 ALA A 127 REMARK 465 ALA A 128 REMARK 465 ALA A 129 REMARK 465 LEU A 130 REMARK 465 GLU A 131 REMARK 465 HIS A 132 REMARK 465 HIS A 133 REMARK 465 HIS A 134 REMARK 465 HIS A 135 REMARK 465 HIS A 136 REMARK 465 HIS A 137 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 OE1 GLN A 4 HH TYR A 6 0.99 REMARK 500 O PHE A 45 HE ARG A 50 1.02 REMARK 500 H ALA A 36 O THR A 76 1.26 REMARK 500 H VAL A 34 O VAL A 78 1.29 REMARK 500 O ALA A 36 H LEU A 40 1.31 REMARK 500 O VAL A 34 H VAL A 78 1.36 REMARK 500 O PRO A 79 H ALA A 83 1.36 REMARK 500 O LEU A 54 H VAL A 58 1.39 REMARK 500 H HIS A 20 O GLY A 23 1.45 REMARK 500 O ASN A 44 HH21 ARG A 50 1.45 REMARK 500 O ARG A 52 H LYS A 56 1.50 REMARK 500 O TYR A 16 HA MET A 26 1.52 REMARK 500 HA ILE A 19 O GLY A 23 1.52 REMARK 500 O ASP A 32 HB2 LEU A 80 1.54 REMARK 500 O SER A 2 HB2 PRO A 98 1.54 REMARK 500 O ASP A 94 HG3 LYS A 97 1.54 REMARK 500 O PRO A 115 HD1 HIS A 117 1.55 REMARK 500 OG SER A 21 HA ALA A 42 1.55 REMARK 500 HG2 LYS A 27 O TRP A 33 1.56 REMARK 500 O SER A 21 HZ2 LYS A 41 1.58 REMARK 500 OG1 THR A 22 HD2 LYS A 41 1.58 REMARK 500 O VAL A 34 HA TRP A 77 1.58 REMARK 500 HE22 GLN A 4 OH TYR A 6 1.59 REMARK 500 O GLU A 55 HB3 LEU A 59 1.60 REMARK 500 O PHE A 18 H ILE A 25 1.60 REMARK 500 OE1 GLN A 4 OH TYR A 6 1.72 REMARK 500 O LEU A 40 OD1 ASN A 44 1.74 REMARK 500 O SER A 21 NZ LYS A 41 1.83 REMARK 500 OE1 GLN A 74 CE2 TRP A 77 1.88 REMARK 500 O LEU A 40 CG ASN A 44 1.88 REMARK 500 OG1 THR A 62 CG PRO A 79 1.88 REMARK 500 OE1 GLN A 74 CZ2 TRP A 77 1.89 REMARK 500 O SER A 2 CZ PHE A 18 1.90 REMARK 500 OG1 THR A 62 CD PRO A 79 1.91 REMARK 500 O VAL A 34 N VAL A 78 1.92 REMARK 500 O GLU A 55 CB LEU A 59 1.92 REMARK 500 O LEU A 40 ND2 ASN A 44 1.93 REMARK 500 CG ASN A 35 O GLN A 74 1.97 REMARK 500 O PHE A 45 NE ARG A 50 1.97 REMARK 500 CG1 VAL A 66 NE2 GLN A 74 1.98 REMARK 500 N GLN A 4 CZ PHE A 18 1.99 REMARK 500 N ALA A 36 O THR A 76 2.02 REMARK 500 O TYR A 16 O ILE A 25 2.02 REMARK 500 OD1 ASN A 35 O GLN A 74 2.06 REMARK 500 OG1 THR A 105 OG SER A 110 2.07 REMARK 500 NE2 GLN A 4 OH TYR A 6 2.09 REMARK 500 N VAL A 34 O VAL A 78 2.12 REMARK 500 N HIS A 20 O GLY A 23 2.14 REMARK 500 OE1 GLN A 74 CH2 TRP A 77 2.16 REMARK 500 O LEU A 59 CE1 HIS A 63 2.16 REMARK 500 REMARK 500 THIS ENTRY HAS 1204 CLOSE CONTACTS 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 GLN A 4 95.31 -60.59 REMARK 500 1 HIS A 20 -137.58 -150.49 REMARK 500 1 PHE A 45 158.02 58.42 REMARK 500 1 ARG A 52 -63.24 -94.37 REMARK 500 1 THR A 62 69.38 19.66 REMARK 500 1 LYS A 89 -103.66 -67.58 REMARK 500 1 SER A 91 -111.29 -75.35 REMARK 500 1 TYR A 93 -29.86 -29.71 REMARK 500 1 PHE A 102 126.15 80.68 REMARK 500 1 ASP A 106 23.12 -60.92 REMARK 500 1 ALA A 109 118.97 -30.07 REMARK 500 1 PRO A 113 -160.94 -56.46 REMARK 500 1 ALA A 114 171.75 -29.99 REMARK 500 2 GLN A 4 96.32 -62.61 REMARK 500 2 HIS A 20 -141.36 -150.09 REMARK 500 2 ASP A 32 48.34 128.36 REMARK 500 2 ASN A 35 99.19 -67.02 REMARK 500 2 ASN A 44 17.62 -148.07 REMARK 500 2 PHE A 45 157.00 46.61 REMARK 500 2 ARG A 52 -71.34 -89.82 REMARK 500 2 GLU A 61 -148.85 -111.77 REMARK 500 2 THR A 62 57.08 -99.61 REMARK 500 2 THR A 76 71.49 -100.35 REMARK 500 2 GLU A 88 -23.42 -36.27 REMARK 500 2 LYS A 89 -99.86 -69.13 REMARK 500 2 SER A 91 -84.11 -71.71 REMARK 500 2 TYR A 93 -27.85 -39.41 REMARK 500 2 LEU A 96 31.16 -74.21 REMARK 500 2 PHE A 102 150.58 -2.17 REMARK 500 2 ASP A 106 22.81 -73.90 REMARK 500 2 ALA A 109 154.04 -29.77 REMARK 500 2 PRO A 113 -122.21 -56.07 REMARK 500 2 ALA A 114 171.54 -47.51 REMARK 500 2 ALA A 120 168.51 -45.36 REMARK 500 3 HIS A 20 -141.75 -150.48 REMARK 500 3 ASN A 35 99.08 -64.88 REMARK 500 3 ALA A 36 -28.51 -37.48 REMARK 500 3 PHE A 45 152.52 54.19 REMARK 500 3 ARG A 52 -68.72 -91.28 REMARK 500 3 GLU A 61 -75.98 -74.07 REMARK 500 3 THR A 62 17.33 -155.48 REMARK 500 3 THR A 76 74.95 -103.26 REMARK 500 3 LYS A 89 -103.84 -67.66 REMARK 500 3 SER A 91 -106.64 -75.47 REMARK 500 3 TYR A 93 -30.47 -29.73 REMARK 500 3 PHE A 102 114.94 161.51 REMARK 500 3 ALA A 109 116.65 -32.32 REMARK 500 3 LYS A 116 104.42 -29.96 REMARK 500 4 GLN A 4 -175.53 -62.39 REMARK 500 4 HIS A 20 -140.76 -150.23 REMARK 500 REMARK 500 THIS ENTRY HAS 323 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4254 RELATED DB: BMRB REMARK 900 BMRB 4254 IS THE NMR CHEMICAL SHIFT DEPOSITION DBREF 1L3G A 2 124 UNP P39678 MBP1_YEAST 2 124 SEQADV 1L3G LYS A 125 UNP P39678 EXPRESSION TAG SEQADV 1L3G LEU A 126 UNP P39678 EXPRESSION TAG SEQADV 1L3G ALA A 127 UNP P39678 EXPRESSION TAG SEQADV 1L3G ALA A 128 UNP P39678 EXPRESSION TAG SEQADV 1L3G ALA A 129 UNP P39678 EXPRESSION TAG SEQADV 1L3G LEU A 130 UNP P39678 EXPRESSION TAG SEQADV 1L3G GLU A 131 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 132 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 133 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 134 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 135 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 136 UNP P39678 EXPRESSION TAG SEQADV 1L3G HIS A 137 UNP P39678 EXPRESSION TAG SEQRES 1 A 136 SER ASN GLN ILE TYR SER ALA ARG TYR SER GLY VAL ASP SEQRES 2 A 136 VAL TYR GLU PHE ILE HIS SER THR GLY SER ILE MET LYS SEQRES 3 A 136 ARG LYS LYS ASP ASP TRP VAL ASN ALA THR HIS ILE LEU SEQRES 4 A 136 LYS ALA ALA ASN PHE ALA LYS ALA LYS ARG THR ARG ILE SEQRES 5 A 136 LEU GLU LYS GLU VAL LEU LYS GLU THR HIS GLU LYS VAL SEQRES 6 A 136 GLN GLY GLY PHE GLY LYS TYR GLN GLY THR TRP VAL PRO SEQRES 7 A 136 LEU ASN ILE ALA LYS GLN LEU ALA GLU LYS PHE SER VAL SEQRES 8 A 136 TYR ASP GLN LEU LYS PRO LEU PHE ASP PHE THR GLN THR SEQRES 9 A 136 ASP GLY SER ALA SER PRO PRO PRO ALA PRO LYS HIS HIS SEQRES 10 A 136 HIS ALA SER LYS VAL ASP LYS LEU ALA ALA ALA LEU GLU SEQRES 11 A 136 HIS HIS HIS HIS HIS HIS HELIX 1 1 ALA A 36 LEU A 40 1 5 HELIX 2 2 LEU A 40 PHE A 45 1 6 HELIX 3 3 LYS A 47 LEU A 59 1 13 HELIX 4 4 LEU A 80 SER A 91 1 12 HELIX 5 5 LEU A 96 PHE A 102 1 7 SHEET 1 A 3 TYR A 6 TYR A 10 0 SHEET 2 A 3 VAL A 13 HIS A 20 -1 O VAL A 15 N ALA A 8 SHEET 3 A 3 GLY A 23 ILE A 25 -1 O GLY A 23 N HIS A 20 SHEET 1 B 3 TRP A 33 ASN A 35 0 SHEET 2 B 3 THR A 76 PRO A 79 -1 O VAL A 78 N VAL A 34 SHEET 3 B 3 GLU A 64 LYS A 65 -1 N GLU A 64 O TRP A 77 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