Header list of 1faf.pdb file
Complete list - b 23 2 Bytes
HEADER VIRAL PROTEIN 13-JUL-00 1FAF TITLE NMR STRUCTURE OF THE N-TERMINAL J DOMAIN OF MURINE POLYOMAVIRUS T TITLE 2 ANTIGENS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: LARGE T ANTIGEN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MURINE POLYOMAVIRUS; SOURCE 3 ORGANISM_TAXID: 10634; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS J DOMAIN, HPD MOTIF, ANTI-PARALLEL HAIRPIN OF HELICES, VIRAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 47 AUTHOR M.V.BERJANSKII,M.I.RILEY,A.XIE,V.SEMENCHENKO,W.R.FOLK,S.R.VAN DOREN REVDAT 3 23-FEB-22 1FAF 1 REMARK REVDAT 2 24-FEB-09 1FAF 1 VERSN REVDAT 1 22-NOV-00 1FAF 0 JRNL AUTH M.V.BERJANSKII,M.I.RILEY,A.XIE,V.SEMENCHENKO,W.R.FOLK, JRNL AUTH 2 S.R.VAN DOREN JRNL TITL NMR STRUCTURE OF THE N-TERMINAL J DOMAIN OF MURINE JRNL TITL 2 POLYOMAVIRUS T ANTIGENS. IMPLICATIONS FOR DNAJ-LIKE DOMAINS JRNL TITL 3 AND FOR MUTATIONS OF T ANTIGENS. JRNL REF J.BIOL.CHEM. V. 275 36094 2000 JRNL REFN ISSN 0021-9258 JRNL PMID 10950962 JRNL DOI 10.1074/JBC.M006572200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 1.3, CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE, REMARK 3 SIMONSON,WARREN (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FAF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JUL-00. REMARK 100 THE DEPOSITION ID IS D_1000011439. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.00 REMARK 210 PH : 6.00 REMARK 210 IONIC STRENGTH : 25MM_PHOSPHATE/100MM_KCL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.7 MM PYJ U-15N; 25 MM REMARK 210 PHOSPHATE BUFFER, 100MM KCL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY- HSQC; REMARK 210 100MS MIXING; 3D_ 13C-SEPARATED_ REMARK 210 FSCT-HSMQC -NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY- HMQC; 3D_ 13C- REMARK 210 SEPARATED_NOESY- CTHSQC; 200MS REMARK 210 MIXING; HNCA-J; HACAHB-COSY; REMARK 210 HNHB; H-D EXCHANGE DETECTED BY REMARK 210 15N HSQC 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 : SYBYL TRIAD 6.3, CNS 1.0 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS AND REMARK 210 SIMULATED ANNEALING IN CARTESIAN REMARK 210 SPACE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 47 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH FAVORABLE NON REMARK 210 -BOND ENERGY,STRUCTURES WITH THE REMARK 210 LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 12 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 LYS A 18 19.26 54.25 REMARK 500 1 PRO A 20 167.21 -46.83 REMARK 500 1 TRP A 24 108.31 -55.69 REMARK 500 2 ASP A 2 -64.91 -129.71 REMARK 500 2 PRO A 20 167.03 -46.06 REMARK 500 2 TRP A 24 97.58 -56.05 REMARK 500 2 ASN A 72 -73.24 -101.41 REMARK 500 3 LYS A 18 19.44 55.55 REMARK 500 3 TRP A 24 105.81 -55.01 REMARK 500 3 ASN A 72 99.42 -60.02 REMARK 500 4 ASP A 2 -174.02 -66.11 REMARK 500 4 LYS A 18 19.20 56.03 REMARK 500 4 TRP A 24 106.21 -55.38 REMARK 500 4 PRO A 43 -2.92 -58.03 REMARK 500 5 ASP A 2 -169.07 -67.72 REMARK 500 5 LYS A 18 19.66 53.94 REMARK 500 5 PRO A 20 168.83 -49.60 REMARK 500 5 TRP A 24 89.04 -58.24 REMARK 500 5 LEU A 73 -63.16 -128.19 REMARK 500 6 PRO A 20 170.73 -49.41 REMARK 500 6 TRP A 24 101.15 -52.31 REMARK 500 6 PRO A 43 -12.91 -47.89 REMARK 500 6 ASN A 72 37.62 -92.67 REMARK 500 7 ARG A 3 77.90 -100.33 REMARK 500 7 PRO A 20 166.55 -45.41 REMARK 500 7 MET A 71 -62.34 -124.34 REMARK 500 8 LYS A 18 19.77 55.31 REMARK 500 8 PRO A 20 167.74 -45.95 REMARK 500 8 TRP A 24 97.96 -52.94 REMARK 500 8 ASN A 72 -71.90 -93.13 REMARK 500 8 LEU A 73 -70.80 -94.78 REMARK 500 9 LYS A 18 19.98 53.12 REMARK 500 9 PRO A 20 164.43 -45.48 REMARK 500 9 TRP A 24 100.69 -51.59 REMARK 500 10 LYS A 18 19.98 53.12 REMARK 500 10 PRO A 20 164.43 -45.48 REMARK 500 10 TRP A 24 100.69 -51.59 REMARK 500 11 PRO A 20 167.05 -46.38 REMARK 500 11 TRP A 24 92.50 -55.68 REMARK 500 11 ARG A 70 0.91 -68.51 REMARK 500 12 LYS A 18 19.70 54.15 REMARK 500 12 PRO A 20 169.69 -49.43 REMARK 500 12 TRP A 24 97.75 -57.60 REMARK 500 13 LYS A 18 18.52 55.00 REMARK 500 13 PRO A 20 -176.40 -46.70 REMARK 500 13 TRP A 24 92.63 -53.65 REMARK 500 13 ASP A 26 97.51 -57.28 REMARK 500 13 MET A 71 -52.76 -121.42 REMARK 500 13 LEU A 73 -52.01 -142.00 REMARK 500 14 LYS A 18 21.25 48.98 REMARK 500 REMARK 500 THIS ENTRY HAS 172 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1FAF A 1 79 UNP P03074 TALA_POVM3 1 79 SEQRES 1 A 79 MET ASP ARG VAL LEU SER ARG ALA ASP LYS GLU ARG LEU SEQRES 2 A 79 LEU GLU LEU LEU LYS LEU PRO ARG GLN LEU TRP GLY ASP SEQRES 3 A 79 PHE GLY ARG MET GLN GLN ALA TYR LYS GLN GLN SER LEU SEQRES 4 A 79 LEU LEU HIS PRO ASP LYS GLY GLY SER HIS ALA LEU MET SEQRES 5 A 79 GLN GLU LEU ASN SER LEU TRP GLY THR PHE LYS THR GLU SEQRES 6 A 79 VAL TYR ASN LEU ARG MET ASN LEU GLY GLY THR GLY PHE SEQRES 7 A 79 GLN HELIX 1 1 SER A 6 LYS A 18 1 13 HELIX 2 2 ASP A 26 LEU A 41 1 16 HELIX 3 3 HIS A 42 GLY A 46 5 5 HELIX 4 4 SER A 48 ARG A 70 1 23 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