Header list of 1vb8.pdb file
Complete list - 2 20 Bytes
HEADER PLANT PROTEIN 25-FEB-04 1VB8 TITLE SOLUTION STRUCTURE OF VHR1, THE FIRST CYCLOTIDE FROM ROOT TISSUE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VIOLA HEDERACEA ROOT PEPTIDE 1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: VHR1 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIOLA HEDERACEA; SOURCE 3 ORGANISM_TAXID: 180952; SOURCE 4 TISSUE: ROOTS KEYWDS CYCLOTIDE, CYSTINE KNOT, CIRCULAR, VIOLA, CCK, PLANT PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR M.TRABI,D.J.CRAIK REVDAT 3 02-MAR-22 1VB8 1 REMARK LINK REVDAT 2 24-FEB-09 1VB8 1 VERSN REVDAT 1 21-DEC-04 1VB8 0 JRNL AUTH M.TRABI,D.J.CRAIK JRNL TITL TISSUE-SPECIFIC EXPRESSION OF HEAD-TO-TAIL CYCLIZED JRNL TITL 2 MINIPROTEINS IN VIOLACEAE AND STRUCTURE DETERMINATION OF THE JRNL TITL 3 ROOT CYCLOTIDE VIOLA HEDERACEA ROOT CYCLOTIDE1 JRNL REF PLANT CELL V. 16 2204 2004 JRNL REFN ISSN 1040-4651 JRNL PMID 15295104 JRNL DOI 10.1105/TPC.104.021790 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR, CNS 1.0 REMARK 3 AUTHORS : BRUKER (XWINNMR), REMARK 3 BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI, REMARK 3 NILGES, PANNU,READ,RICE,SIMONSON,WARREN (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: FINAL ENERGY MINIMIZATION IN WATER REMARK 3 SHELL REMARK 4 REMARK 4 1VB8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-FEB-04. REMARK 100 THE DEPOSITION ID IS D_1000006426. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 310 REMARK 210 PH : 6; 6 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM VHR1; 1MM VHR1 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; REMARK 210 TQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : GLXCC, X-PLOR 3.851 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES REMARK 210 WITH THE LOWEST ENERGY 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: 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 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 TRP A 7 -60.47 -120.56 REMARK 500 1 THR A 11 -30.21 -131.16 REMARK 500 1 ASN A 22 79.35 -162.79 REMARK 500 2 CYS A 5 34.61 -88.06 REMARK 500 2 ASN A 22 75.93 -167.16 REMARK 500 3 TRP A 7 -53.16 -121.44 REMARK 500 3 ASN A 22 76.06 -165.41 REMARK 500 3 ASN A 27 73.74 -158.99 REMARK 500 4 CYS A 5 35.12 -89.03 REMARK 500 4 TRP A 7 -46.02 -131.55 REMARK 500 4 LYS A 23 -52.44 81.75 REMARK 500 4 ASN A 27 76.20 -118.53 REMARK 500 5 CYS A 5 -87.23 -88.94 REMARK 500 5 VAL A 6 -55.38 71.16 REMARK 500 5 CYS A 20 97.96 -67.87 REMARK 500 5 ASN A 22 63.41 -156.04 REMARK 500 5 ASN A 27 74.27 -160.58 REMARK 500 6 CYS A 5 -73.06 -89.18 REMARK 500 6 VAL A 6 -56.27 70.94 REMARK 500 6 ASN A 22 57.21 -144.14 REMARK 500 6 LYS A 23 -38.77 79.54 REMARK 500 7 TRP A 7 -63.42 -105.31 REMARK 500 7 SER A 21 -102.00 -96.64 REMARK 500 8 CYS A 5 -70.33 -88.87 REMARK 500 8 VAL A 6 -56.61 70.66 REMARK 500 8 ASN A 22 61.84 -151.03 REMARK 500 8 LYS A 23 -45.18 79.90 REMARK 500 9 TRP A 7 -51.27 -128.04 REMARK 500 9 ASN A 22 66.56 -156.97 REMARK 500 10 CYS A 5 49.99 -88.12 REMARK 500 11 CYS A 20 99.15 -66.32 REMARK 500 11 SER A 21 -71.46 -96.85 REMARK 500 11 LYS A 23 -40.86 74.84 REMARK 500 11 ASN A 27 73.74 -164.57 REMARK 500 12 TRP A 7 -58.07 -127.79 REMARK 500 12 SER A 21 71.79 -102.77 REMARK 500 12 ASN A 22 75.52 72.17 REMARK 500 12 ASN A 27 -104.73 -167.10 REMARK 500 13 TRP A 7 -48.25 -135.48 REMARK 500 13 SER A 21 -63.28 -97.86 REMARK 500 14 VAL A 6 -59.31 70.09 REMARK 500 14 TRP A 7 -33.56 -135.15 REMARK 500 14 SER A 21 -94.58 -106.00 REMARK 500 14 ASN A 27 16.08 -140.56 REMARK 500 15 CYS A 5 36.82 -88.79 REMARK 500 15 TRP A 7 -49.80 -131.00 REMARK 500 15 LYS A 23 -53.61 80.10 REMARK 500 16 TRP A 7 -47.51 -135.27 REMARK 500 16 CYS A 18 98.39 -64.53 REMARK 500 16 CYS A 20 97.18 -63.80 REMARK 500 REMARK 500 THIS ENTRY HAS 68 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1VB8 A 1 27 UNP P83937 VHR1_VIOHE 4 30 SEQRES 1 A 30 CYS ALA GLU SER CYS VAL TRP ILE PRO CYS THR VAL THR SEQRES 2 A 30 ALA LEU LEU GLY CYS SER CYS SER ASN LYS VAL CYS TYR SEQRES 3 A 30 ASN GLY ILE PRO HELIX 1 1 THR A 13 GLY A 17 5 5 SSBOND 1 CYS A 1 CYS A 18 1555 1555 2.03 SSBOND 2 CYS A 5 CYS A 20 1555 1555 2.03 SSBOND 3 CYS A 10 CYS A 25 1555 1555 2.03 LINK N CYS A 1 C PRO A 30 1555 1555 1.32 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