Header list of 2evn.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-OCT-05 2EVN TITLE NMR SOLUTION STRUCTURES OF AT1G77540 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN AT1G77540; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: THALE CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PQE KEYWDS PSI STRUCTURAL GENOMICS CESG AT1G77540 CENTER FOR EUKARYOTIC KEYWDS 2 STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, STRUCTURAL KEYWDS 3 GENOMICS, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR R.C.TYLER,S.SINGH,M.TONELLI,M.S.MIN,J.L.MARKLEY,CENTER FOR EUKARYOTIC AUTHOR 2 STRUCTURAL GENOMICS (CESG) REVDAT 4 09-MAR-22 2EVN 1 REMARK REVDAT 3 24-FEB-09 2EVN 1 VERSN REVDAT 2 12-DEC-06 2EVN 1 JRNL REVDAT 1 15-NOV-05 2EVN 0 SPRSDE 15-NOV-05 2EVN 1XO4 JRNL AUTH R.C.TYLER,E.BITTO,C.E.BERNDSEN,C.A.BINGMAN,S.SINGH,M.S.LEE, JRNL AUTH 2 G.E.WESENBERG,J.M.DENU,G.N.PHILLIPS JR.,J.L.MARKLEY JRNL TITL STRUCTURE OF ARABIDOPSIS THALIANA AT1G77540 PROTEIN, A JRNL TITL 2 MINIMAL ACETYLTRANSFERASE FROM THE COG2388 FAMILY. JRNL REF BIOCHEMISTRY V. 45 14325 2006 JRNL REFN ISSN 0006-2960 JRNL PMID 17128971 JRNL DOI 10.1021/BI0612059 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1, CNS 1.1 REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2EVN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-NOV-05. REMARK 100 THE DEPOSITION ID IS D_1000035147. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6 REMARK 210 IONIC STRENGTH : 50MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM AT1G77540 U-15N,13C; 10MM REMARK 210 KHPO4, 50MM KCL, 90%H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.2 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS CARTESIAN REMARK 210 ANGLE DYNAMICS NOE BASED REMARK 210 DISTANCE RESTRAINTS 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 HG2 GLU A 97 H VAL A 98 1.17 REMARK 500 HD11 ILE A 26 HG CYS A 76 1.29 REMARK 500 H ARG A 31 O VAL A 36 1.54 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 4 TYR A 43 CE1 TYR A 43 CZ -0.078 REMARK 500 4 TYR A 43 CZ TYR A 43 CE2 0.084 REMARK 500 5 TYR A 43 CE1 TYR A 43 CZ -0.101 REMARK 500 5 TYR A 43 CZ TYR A 43 CE2 0.100 REMARK 500 7 TYR A 43 CE1 TYR A 43 CZ -0.079 REMARK 500 7 TYR A 43 CZ TYR A 43 CE2 0.086 REMARK 500 8 TYR A 43 CE1 TYR A 43 CZ -0.082 REMARK 500 8 TYR A 43 CZ TYR A 43 CE2 0.079 REMARK 500 14 TYR A 43 CE1 TYR A 43 CZ -0.082 REMARK 500 14 TYR A 43 CZ TYR A 43 CE2 0.084 REMARK 500 16 TYR A 43 CE1 TYR A 43 CZ -0.093 REMARK 500 16 TYR A 43 CZ TYR A 43 CE2 0.092 REMARK 500 18 TYR A 43 CE1 TYR A 43 CZ -0.080 REMARK 500 20 TYR A 43 CZ TYR A 43 CE2 0.081 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 HIS A 22 -6.66 66.78 REMARK 500 1 HIS A 41 101.47 71.70 REMARK 500 1 CYS A 76 12.59 -68.74 REMARK 500 1 SER A 77 -5.77 -49.84 REMARK 500 1 PRO A 88 38.94 -78.63 REMARK 500 1 PRO A 92 -8.13 -59.04 REMARK 500 1 ILE A 94 -154.75 -112.74 REMARK 500 1 SER A 96 -56.30 178.10 REMARK 500 1 GLU A 97 -142.45 -126.45 REMARK 500 1 PHE A 99 -34.40 -165.54 REMARK 500 2 HIS A 22 -12.18 67.72 REMARK 500 2 ASN A 33 -2.83 69.76 REMARK 500 2 HIS A 41 94.46 72.90 REMARK 500 2 CYS A 76 15.76 -65.83 REMARK 500 2 SER A 77 -6.08 -48.51 REMARK 500 2 ILE A 94 -160.00 -124.30 REMARK 500 2 HIS A 95 -73.14 -67.97 REMARK 500 2 SER A 96 -30.99 177.50 REMARK 500 2 GLU A 97 -155.55 -161.60 REMARK 500 2 PHE A 99 5.02 -163.91 REMARK 500 2 SER A 101 170.79 76.36 REMARK 500 2 SER A 102 -57.09 -120.10 REMARK 500 3 THR A 3 95.23 50.49 REMARK 500 3 HIS A 22 -7.94 65.46 REMARK 500 3 ASN A 33 -3.63 65.76 REMARK 500 3 HIS A 41 101.34 74.15 REMARK 500 3 CYS A 76 15.77 -61.99 REMARK 500 3 SER A 77 -12.00 -47.24 REMARK 500 3 SER A 89 14.28 -153.24 REMARK 500 3 ILE A 94 -156.47 -124.05 REMARK 500 3 HIS A 95 -78.59 -64.94 REMARK 500 3 SER A 96 -53.91 -179.61 REMARK 500 3 GLU A 97 -151.71 -127.62 REMARK 500 3 PHE A 99 -33.52 -147.46 REMARK 500 4 HIS A 22 -11.04 67.57 REMARK 500 4 HIS A 41 97.01 73.61 REMARK 500 4 CYS A 76 14.10 -66.65 REMARK 500 4 SER A 77 -6.02 -49.73 REMARK 500 4 ILE A 94 -155.95 -108.64 REMARK 500 4 HIS A 95 -86.35 -58.15 REMARK 500 4 SER A 96 -64.64 -161.08 REMARK 500 4 GLU A 97 -146.47 -129.55 REMARK 500 4 SER A 101 96.22 44.56 REMARK 500 5 HIS A 22 -6.78 65.19 REMARK 500 5 ASN A 33 -21.34 73.92 REMARK 500 5 HIS A 41 94.85 76.37 REMARK 500 5 CYS A 76 13.13 -67.75 REMARK 500 5 SER A 77 -4.80 -49.55 REMARK 500 5 PRO A 88 39.55 -78.41 REMARK 500 5 ILE A 94 -151.17 -103.49 REMARK 500 REMARK 500 THIS ENTRY HAS 220 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 8 TYR A 28 0.06 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 6388 RELATED DB: BMRB REMARK 900 RELATED ID: GO.6042 RELATED DB: TARGETDB DBREF 2EVN A 1 103 UNP Q9CAQ2 Y1754_ARATH 12 114 SEQRES 1 A 103 MET ALA THR GLU PRO PRO LYS ILE VAL TRP ASN GLU GLY SEQRES 2 A 103 LYS ARG ARG PHE GLU THR GLU ASP HIS GLU ALA PHE ILE SEQRES 3 A 103 GLU TYR LYS MET ARG ASN ASN GLY LYS VAL MET ASP LEU SEQRES 4 A 103 VAL HIS THR TYR VAL PRO SER PHE LYS ARG GLY LEU GLY SEQRES 5 A 103 LEU ALA SER HIS LEU CYS VAL ALA ALA PHE GLU HIS ALA SEQRES 6 A 103 SER SER HIS SER ILE SER ILE ILE PRO SER CYS SER TYR SEQRES 7 A 103 VAL SER ASP THR PHE LEU PRO ARG ASN PRO SER TRP LYS SEQRES 8 A 103 PRO LEU ILE HIS SER GLU VAL PHE LYS SER SER ILE HELIX 1 1 PRO A 45 ARG A 49 5 5 HELIX 2 2 GLY A 52 HIS A 68 1 17 HELIX 3 3 CYS A 76 ASN A 87 1 12 HELIX 4 4 PRO A 88 LYS A 91 5 4 SHEET 1 A 5 VAL A 9 ASN A 11 0 SHEET 2 A 5 ARG A 16 GLU A 18 -1 O GLU A 18 N VAL A 9 SHEET 3 A 5 PHE A 25 ARG A 31 -1 O ILE A 26 N PHE A 17 SHEET 4 A 5 VAL A 36 TYR A 43 -1 O VAL A 36 N ARG A 31 SHEET 5 A 5 SER A 71 PRO A 74 1 O SER A 71 N MET A 37 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 9 2 Bytes