Header list of 1yp8.pdb file
Complete list - 2 20 Bytes
HEADER CELL CYCLE 30-JAN-05 1YP8 TITLE SOLUTION STRUCTURE OF THE CYCLOTIDE TRICYCLON A COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRICYCLON A; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIOLA TRICOLOR; SOURCE 3 ORGANISM_TAXID: 214053 KEYWDS BETA-SHEET, CYSTINE KNOT, CYCLIC BACKBONE, CYCLOTIDE, CELL CYCLE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR J.P.MULVENNA,L.SANDO,D.J.CRAIK REVDAT 3 02-MAR-22 1YP8 1 REMARK REVDAT 2 24-FEB-09 1YP8 1 VERSN REVDAT 1 24-MAY-05 1YP8 0 JRNL AUTH J.P.MULVENNA,L.SANDO,D.J.CRAIK JRNL TITL PROCESSING OF A 22 KDA PRECURSOR PROTEIN TO PRODUCE THE JRNL TITL 2 CIRCULAR PROTEIN TRICYCLON A. JRNL REF STRUCTURE V. 13 691 2005 JRNL REFN ISSN 0969-2126 JRNL PMID 15893660 JRNL DOI 10.1016/J.STR.2005.02.013 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE, REMARK 3 SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-FEB-05. REMARK 100 THE DEPOSITION ID IS D_1000031776. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 3.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MG TRICYCLON A; 2MG TRICYCLON A REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY; E REMARK 210 -COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 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 N CYS A 1 C ASP A 33 1.32 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 SER A 4 63.15 -150.60 REMARK 500 1 TRP A 20 25.73 -73.86 REMARK 500 2 LEU A 7 39.03 -99.24 REMARK 500 3 LEU A 7 38.47 -93.59 REMARK 500 4 CYS A 5 48.94 -78.24 REMARK 500 4 LEU A 7 39.00 -99.19 REMARK 500 5 CYS A 5 65.98 -69.61 REMARK 500 5 LEU A 7 45.67 -99.11 REMARK 500 5 GLU A 19 133.97 -37.08 REMARK 500 6 SER A 4 74.97 -150.24 REMARK 500 6 TRP A 20 32.69 -75.60 REMARK 500 8 LEU A 7 41.47 -98.80 REMARK 500 8 CYS A 10 -157.27 -77.77 REMARK 500 8 GLU A 19 135.46 -39.60 REMARK 500 9 LEU A 7 39.91 -90.99 REMARK 500 9 GLU A 19 138.53 -39.06 REMARK 500 10 LEU A 7 -129.79 -114.85 REMARK 500 11 TRP A 20 37.09 -78.57 REMARK 500 11 LEU A 22 -161.01 -106.95 REMARK 500 12 LEU A 7 35.89 -97.78 REMARK 500 12 GLU A 19 131.92 -35.23 REMARK 500 13 TRP A 20 29.08 -75.87 REMARK 500 14 CYS A 5 64.50 -69.77 REMARK 500 14 LEU A 7 45.59 -103.89 REMARK 500 14 GLU A 19 136.24 -39.01 REMARK 500 15 GLU A 19 133.96 -38.30 REMARK 500 16 LEU A 7 32.08 -96.13 REMARK 500 16 GLU A 19 42.46 -69.95 REMARK 500 17 CYS A 5 85.56 -69.27 REMARK 500 17 CYS A 10 -155.00 -85.22 REMARK 500 17 THR A 26 62.86 -150.46 REMARK 500 18 LEU A 7 40.17 -100.02 REMARK 500 18 THR A 26 62.47 -150.82 REMARK 500 20 SER A 4 83.15 -150.02 REMARK 500 REMARK 500 REMARK: NULL DBREF 1YP8 A 1 33 PDB 1YP8 1YP8 1 33 SEQRES 1 A 33 CYS GLY GLU SER CYS PHE LEU GLY THR CYS TYR THR LYS SEQRES 2 A 33 GLY CYS SER CYS GLY GLU TRP LYS LEU CYS TYR GLY THR SEQRES 3 A 33 ASN GLY GLY THR ILE PHE ASP SHEET 1 A 3 CYS A 15 GLY A 18 0 SHEET 2 A 3 LEU A 22 ASN A 27 -1 O TYR A 24 N SER A 16 SHEET 3 A 3 THR A 30 PHE A 32 -1 O PHE A 32 N GLY A 25 SSBOND 1 CYS A 1 CYS A 15 1555 1555 2.03 SSBOND 2 CYS A 5 CYS A 17 1555 1555 2.04 SSBOND 3 CYS A 10 CYS A 23 1555 1555 2.03 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 - 2 20 Bytes