Header list of 1ygo.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSFERASE 05-JAN-05 1YGO TITLE SOLUTION STRUCTURE OF THE PELLE DEATH DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE SERINE/THREONINE-PROTEIN KINASE PELLE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PELLE KINASE DEATH DOMAIN RESIDUES 26-131; COMPND 5 EC: 2.7.1.37; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 ORGANISM_TAXID: 7227; SOURCE 5 GENE: PLL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS ANTI-PARALLEL 6 HELIX BUNDLE, TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR M.C.MONCRIEFFE,K.M.STOTT,N.J.GAY REVDAT 3 02-MAR-22 1YGO 1 REMARK SEQADV REVDAT 2 24-FEB-09 1YGO 1 VERSN REVDAT 1 26-JUL-05 1YGO 0 JRNL AUTH M.C.MONCRIEFFE,K.M.STOTT,N.J.GAY JRNL TITL SOLUTION STRUCTURE OF THE ISOLATED PELLE DEATH DOMAIN. JRNL REF FEBS LETT. V. 579 3920 2005 JRNL REFN ISSN 0014-5793 JRNL PMID 16004997 JRNL DOI 10.1016/J.FEBSLET.2005.06.009 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ANSIG 1.03 FOR OPENGL, CNS 1.1 REMARK 3 AUTHORS : KRAULIS,P (ANSIG), BRUNGER, A (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YGO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-JAN-05. REMARK 100 THE DEPOSITION ID IS D_1000031492. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1MM PELLE DEATH DOMAIN, U-15N, REMARK 210 13C; 20MM PHOSPHATE, 100MM NACL, REMARK 210 PH 7.6; 10% D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AZARA 2.5, ARIA 1.2 REMARK 210 METHOD USED : SIMULATED ANEALING 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: 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 SER A 2 -28.19 -144.25 REMARK 500 1 LYS A 42 102.29 60.46 REMARK 500 1 ASN A 74 145.64 65.44 REMARK 500 1 HIS A 75 -152.49 -161.41 REMARK 500 1 ASP A 98 1.31 -69.18 REMARK 500 1 HIS A 105 84.63 -67.30 REMARK 500 1 LYS A 106 -40.01 -168.18 REMARK 500 2 MET A 4 84.62 55.49 REMARK 500 2 SER A 5 -165.78 57.38 REMARK 500 2 ASP A 8 -165.93 -77.49 REMARK 500 2 LYS A 42 94.80 57.85 REMARK 500 2 ARG A 59 -70.98 -144.34 REMARK 500 2 HIS A 75 -162.32 -77.50 REMARK 500 2 ASP A 98 -19.63 -176.40 REMARK 500 2 LYS A 106 7.14 -172.23 REMARK 500 2 TYR A 107 12.96 -153.12 REMARK 500 3 SER A 2 123.89 64.82 REMARK 500 3 HIS A 3 105.06 61.65 REMARK 500 3 MET A 4 -72.12 -90.84 REMARK 500 3 HIS A 6 -73.72 -60.64 REMARK 500 3 ASP A 8 86.30 57.27 REMARK 500 3 LEU A 16 108.75 -51.42 REMARK 500 3 LYS A 42 93.08 58.53 REMARK 500 3 ARG A 59 -156.78 56.86 REMARK 500 3 HIS A 75 -163.95 -76.79 REMARK 500 3 LYS A 106 -32.28 -168.39 REMARK 500 4 SER A 2 -39.06 -144.45 REMARK 500 4 SER A 5 70.09 55.69 REMARK 500 4 HIS A 6 -174.51 58.97 REMARK 500 4 LEU A 16 109.58 -53.06 REMARK 500 4 LYS A 42 93.17 56.76 REMARK 500 4 SER A 101 29.20 -179.96 REMARK 500 4 GLU A 102 -68.23 -98.38 REMARK 500 4 LYS A 106 1.65 -173.37 REMARK 500 4 TYR A 107 9.99 -151.46 REMARK 500 5 SER A 2 -67.93 -145.39 REMARK 500 5 THR A 10 -90.73 -138.19 REMARK 500 5 MET A 11 119.16 -161.65 REMARK 500 5 LYS A 42 96.35 57.74 REMARK 500 5 ASN A 74 143.12 65.43 REMARK 500 5 HIS A 75 -156.03 -161.68 REMARK 500 5 ASP A 98 6.04 -67.92 REMARK 500 5 HIS A 105 84.19 -67.76 REMARK 500 5 LYS A 106 -40.48 -165.32 REMARK 500 6 HIS A 3 -71.38 -87.36 REMARK 500 6 HIS A 6 81.77 54.11 REMARK 500 6 LEU A 7 -94.47 57.50 REMARK 500 6 ASP A 8 82.67 -167.73 REMARK 500 6 LYS A 42 94.16 57.14 REMARK 500 6 SER A 60 96.80 -69.86 REMARK 500 REMARK 500 THIS ENTRY HAS 205 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1YGO A 5 110 UNP Q05652 KPEL_DROME 26 131 SEQADV 1YGO GLY A 1 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO SER A 2 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO HIS A 3 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO MET A 4 UNP Q05652 CLONING ARTIFACT SEQRES 1 A 110 GLY SER HIS MET SER HIS LEU ASP ASN THR MET ALA ILE SEQRES 2 A 110 ARG LEU LEU PRO LEU PRO VAL ARG ALA GLN LEU CYS ALA SEQRES 3 A 110 HIS LEU ASP ALA LEU ASP VAL TRP GLN GLN LEU ALA THR SEQRES 4 A 110 ALA VAL LYS LEU TYR PRO ASP GLN VAL GLU GLN ILE SER SEQRES 5 A 110 SER GLN LYS GLN ARG GLY ARG SER ALA SER ASN GLU PHE SEQRES 6 A 110 LEU ASN ILE TRP GLY GLY GLN TYR ASN HIS THR VAL GLN SEQRES 7 A 110 THR LEU PHE ALA LEU PHE LYS LYS LEU LYS LEU HIS ASN SEQRES 8 A 110 ALA MET ARG LEU ILE LYS ASP TYR VAL SER GLU ASP LEU SEQRES 9 A 110 HIS LYS TYR ILE PRO ARG HELIX 1 1 PRO A 17 ASP A 32 1 16 HELIX 2 2 TRP A 34 THR A 39 1 6 HELIX 3 3 ALA A 40 LYS A 42 5 3 HELIX 4 4 TYR A 44 ARG A 57 1 14 HELIX 5 5 SER A 60 GLY A 70 1 11 HELIX 6 6 THR A 76 LYS A 85 1 10 HELIX 7 7 LEU A 89 ILE A 96 1 8 HELIX 8 8 SER A 101 HIS A 105 5 5 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