Header list of 1aci.pdb file
Complete list - b 16 2 Bytes
HEADER RIBOSOMAL PROTEIN 07-FEB-97 1ACI TITLE L11 RIBOSOMAL PROTEIN RNA BINDING DOMAIN, NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: L11 RIBOSOMAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, 76 RESIDUES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 STRAIN: L11 KEYWDS L11-C76, RIBOSOMAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Y.XING,D.E.DRAPER REVDAT 3 16-FEB-22 1ACI 1 REMARK REVDAT 2 24-FEB-09 1ACI 1 VERSN REVDAT 1 14-JAN-98 1ACI 0 JRNL AUTH Y.XING,D.E.DRAPER JRNL TITL COOPERATIVE INTERACTIONS OF RNA AND THIOSTREPTON ANTIBIOTIC JRNL TITL 2 WITH TWO DOMAINS OF RIBOSOMAL PROTEIN L11. JRNL REF BIOCHEMISTRY V. 35 1581 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8634289 JRNL DOI 10.1021/BI952132O REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ACI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000170653. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQF-COSY; 1H-15N REMARK 210 HSQC-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMUM ENERGY AND LEAST REMARK 210 RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 THR A 2 92.51 -64.09 REMARK 500 1 THR A 5 172.75 -47.62 REMARK 500 1 THR A 7 122.08 70.83 REMARK 500 1 SER A 24 -94.42 49.28 REMARK 500 1 GLU A 26 158.43 -46.85 REMARK 500 1 ASN A 28 43.11 -96.41 REMARK 500 1 ASN A 30 -66.11 -166.98 REMARK 500 1 ASP A 50 -46.04 -170.15 REMARK 500 1 SER A 55 -39.79 -174.57 REMARK 500 1 ILE A 56 -32.85 -172.93 REMARK 500 1 ILE A 72 174.21 -59.88 REMARK 500 2 PRO A 9 -156.05 -80.96 REMARK 500 2 ALA A 10 -121.12 32.00 REMARK 500 2 ALA A 11 -61.78 -24.00 REMARK 500 2 ILE A 20 100.18 -43.49 REMARK 500 2 GLU A 21 -90.74 -106.81 REMARK 500 2 SER A 24 -176.12 75.50 REMARK 500 2 ASN A 28 41.14 -141.88 REMARK 500 2 ASP A 50 -65.35 -150.26 REMARK 500 2 ASN A 52 68.16 39.73 REMARK 500 2 SER A 55 -40.06 174.30 REMARK 500 2 ILE A 56 -33.55 -171.34 REMARK 500 2 ILE A 72 -178.75 -48.99 REMARK 500 2 VAL A 73 -168.61 -110.99 REMARK 500 3 ILE A 4 116.15 -160.41 REMARK 500 3 THR A 5 80.04 43.71 REMARK 500 3 THR A 7 90.72 44.83 REMARK 500 3 ALA A 18 -73.68 -70.99 REMARK 500 3 SER A 22 -76.33 -175.20 REMARK 500 3 ASN A 28 -79.61 -110.57 REMARK 500 3 ALA A 33 93.52 -57.87 REMARK 500 3 LYS A 47 -53.20 -134.47 REMARK 500 3 ASP A 50 -53.73 -173.14 REMARK 500 3 LEU A 51 38.77 27.04 REMARK 500 3 ASN A 52 59.80 37.63 REMARK 500 3 SER A 55 -48.82 178.51 REMARK 500 4 THR A 5 27.85 -165.45 REMARK 500 4 ILE A 20 94.98 -62.29 REMARK 500 4 GLU A 26 104.49 175.60 REMARK 500 4 ASN A 28 -161.21 -101.12 REMARK 500 4 ARG A 29 -93.13 -111.48 REMARK 500 4 ALA A 33 85.49 -161.45 REMARK 500 4 LYS A 47 39.99 -140.48 REMARK 500 4 PRO A 49 41.54 -80.99 REMARK 500 4 LEU A 51 -99.24 -127.63 REMARK 500 4 ASN A 52 34.56 177.78 REMARK 500 4 SER A 55 -50.19 -172.34 REMARK 500 4 ILE A 56 -34.40 -174.90 REMARK 500 4 MET A 70 -72.95 -53.99 REMARK 500 4 ILE A 72 152.83 -39.56 REMARK 500 REMARK 500 THIS ENTRY HAS 270 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 1 ARG A 29 0.28 SIDE CHAIN REMARK 500 1 ARG A 37 0.27 SIDE CHAIN REMARK 500 1 ARG A 41 0.31 SIDE CHAIN REMARK 500 1 ARG A 61 0.30 SIDE CHAIN REMARK 500 1 ARG A 68 0.30 SIDE CHAIN REMARK 500 2 ARG A 29 0.32 SIDE CHAIN REMARK 500 2 ARG A 37 0.29 SIDE CHAIN REMARK 500 2 ARG A 41 0.22 SIDE CHAIN REMARK 500 2 ARG A 61 0.23 SIDE CHAIN REMARK 500 2 ARG A 68 0.13 SIDE CHAIN REMARK 500 3 ARG A 29 0.29 SIDE CHAIN REMARK 500 3 ARG A 37 0.17 SIDE CHAIN REMARK 500 3 ARG A 41 0.11 SIDE CHAIN REMARK 500 3 ARG A 61 0.27 SIDE CHAIN REMARK 500 3 ARG A 68 0.21 SIDE CHAIN REMARK 500 4 ARG A 29 0.30 SIDE CHAIN REMARK 500 4 ARG A 37 0.28 SIDE CHAIN REMARK 500 4 ARG A 41 0.27 SIDE CHAIN REMARK 500 4 ARG A 61 0.10 SIDE CHAIN REMARK 500 4 ARG A 68 0.28 SIDE CHAIN REMARK 500 5 ARG A 29 0.20 SIDE CHAIN REMARK 500 5 ARG A 37 0.29 SIDE CHAIN REMARK 500 5 ARG A 41 0.29 SIDE CHAIN REMARK 500 5 ARG A 61 0.30 SIDE CHAIN REMARK 500 5 ARG A 68 0.14 SIDE CHAIN REMARK 500 6 ARG A 29 0.20 SIDE CHAIN REMARK 500 6 ARG A 37 0.28 SIDE CHAIN REMARK 500 6 ARG A 41 0.21 SIDE CHAIN REMARK 500 6 ARG A 61 0.22 SIDE CHAIN REMARK 500 6 ARG A 68 0.30 SIDE CHAIN REMARK 500 7 ARG A 29 0.21 SIDE CHAIN REMARK 500 7 ARG A 37 0.18 SIDE CHAIN REMARK 500 7 ARG A 41 0.08 SIDE CHAIN REMARK 500 7 ARG A 61 0.14 SIDE CHAIN REMARK 500 7 ARG A 68 0.32 SIDE CHAIN REMARK 500 8 ARG A 29 0.28 SIDE CHAIN REMARK 500 8 ARG A 37 0.30 SIDE CHAIN REMARK 500 8 ARG A 41 0.17 SIDE CHAIN REMARK 500 8 ARG A 61 0.32 SIDE CHAIN REMARK 500 8 ARG A 68 0.27 SIDE CHAIN REMARK 500 9 ARG A 29 0.31 SIDE CHAIN REMARK 500 9 ARG A 37 0.30 SIDE CHAIN REMARK 500 9 ARG A 41 0.27 SIDE CHAIN REMARK 500 9 ARG A 61 0.18 SIDE CHAIN REMARK 500 9 ARG A 68 0.24 SIDE CHAIN REMARK 500 10 ARG A 29 0.31 SIDE CHAIN REMARK 500 10 ARG A 37 0.19 SIDE CHAIN REMARK 500 10 ARG A 41 0.31 SIDE CHAIN REMARK 500 10 ARG A 61 0.26 SIDE CHAIN REMARK 500 10 ARG A 68 0.32 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 96 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1ACI A 2 76 UNP P56210 RL11_BACST 59 133 SEQRES 1 A 76 MET THR PHE ILE THR LYS THR PRO PRO ALA ALA VAL LEU SEQRES 2 A 76 LEU LYS LYS ALA ALA GLY ILE GLU SER GLY SER GLY GLU SEQRES 3 A 76 PRO ASN ARG ASN LYS VAL ALA THR ILE LYS ARG ASP LYS SEQRES 4 A 76 VAL ARG GLU ILE ALA GLU LEU LYS MET PRO ASP LEU ASN SEQRES 5 A 76 ALA ALA SER ILE GLU ALA ALA MET ARG MET ILE GLU GLY SEQRES 6 A 76 THR ALA ARG SER MET GLY ILE VAL VAL GLU ASP HELIX 1 1 ALA A 10 ALA A 18 1 9 HELIX 2 2 ASP A 38 LEU A 46 1 9 HELIX 3 3 GLU A 57 SER A 69 1 13 SHEET 1 A 2 THR A 34 ILE A 35 0 SHEET 2 A 2 VAL A 73 VAL A 74 1 O VAL A 73 N ILE A 35 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 16 2 Bytes