Header list of 2esz.pdb file
Complete list - 9 20 Bytes
HEADER VIRAL PROTEIN 27-OCT-05 2ESZ TITLE THE STRUCTURE OF THE V3 REGION WITHIN GP120 OF JR-FL HIV-1 STRAIN TITLE 2 (ENSEMBLE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE POLYPROTEIN GP160; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: V3 OF GP120; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 STRAIN: JR-FL; SOURCE 5 GENE: ENV; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3)PLYSS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PM104; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PM4-V3JRFL KEYWDS HIV-1, JR-FL, V3, 447-52D, ANTIBODY, BETA-HAIRPIN, VIRAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 30 MDLTYP MINIMIZED AVERAGE AUTHOR O.ROSEN,M.SHARON,A.O.SAMSON,S.R.QUADT,J.ANGLISTER REVDAT 3 09-MAR-22 2ESZ 1 REMARK REVDAT 2 24-FEB-09 2ESZ 1 VERSN REVDAT 1 19-SEP-06 2ESZ 0 JRNL AUTH O.ROSEN,M.SHARON,S.R.QUADT-AKABAYOV,J.ANGLISTER JRNL TITL MOLECULAR SWITCH FOR ALTERNATIVE CONFORMATIONS OF THE HIV-1 JRNL TITL 2 V3 REGION: IMPLICATIONS FOR PHENOTYPE CONVERSION. JRNL REF PROC.NATL.ACAD.SCI.USA V. 13 13950 2006 JRNL REFN ISSN 0027-8424 JRNL PMID 16966601 JRNL DOI 10.1073/PNAS.0606312103 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: THE STRUCTURE IS BASED ON 305 REMARK 3 RESTRAINTS, 25 DIHEDRAL ANGLES AND 2 HYDROGEN BONDS REMARK 4 REMARK 4 2ESZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-NOV-05. REMARK 100 THE DEPOSITION ID IS D_1000035054. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 10MM ACETIC ACID REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 0.4MM V3JR-FL-447-52D COMPLEX U REMARK 210 -15N; 0.4MM V3JR-FL-447-52D REMARK 210 COMPLEX U-15N-13C; 0.4MM V3JR-FL- REMARK 210 447-52D COMPLEX U-15N-13C REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; HNHA; 2D-NOESY REMARK 210 AROMATIC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX; DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.0, NMRVIEW 5.2.2 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30 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: 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 PRO A 11 -169.53 -72.68 REMARK 500 1 ARG A 13 37.00 -175.28 REMARK 500 1 GLU A 20 -83.51 -80.16 REMARK 500 2 LYS A 5 117.26 -166.11 REMARK 500 2 ARG A 13 -68.40 -161.29 REMARK 500 2 GLU A 20 96.89 -175.52 REMARK 500 3 ARG A 13 -57.62 -148.19 REMARK 500 4 ARG A 13 -47.37 -147.54 REMARK 500 4 GLU A 20 58.21 -118.23 REMARK 500 6 ARG A 4 -43.50 -140.57 REMARK 500 6 ARG A 13 -48.94 -155.50 REMARK 500 7 ARG A 4 -163.11 -110.15 REMARK 500 7 LYS A 5 147.25 -176.14 REMARK 500 7 PRO A 11 97.36 -51.94 REMARK 500 7 ARG A 13 84.06 -156.95 REMARK 500 7 GLU A 20 -91.74 -136.50 REMARK 500 9 ARG A 13 41.01 -165.25 REMARK 500 10 ARG A 13 43.74 -162.76 REMARK 500 10 PHE A 15 78.70 -111.58 REMARK 500 11 PRO A 11 89.93 -52.46 REMARK 500 11 GLU A 20 137.73 -178.20 REMARK 500 12 ARG A 13 88.42 -154.31 REMARK 500 12 GLU A 20 -172.05 -66.00 REMARK 500 13 LYS A 5 119.53 69.98 REMARK 500 13 ARG A 13 28.68 -151.65 REMARK 500 13 THR A 18 -168.03 -114.38 REMARK 500 14 ARG A 13 -164.77 -171.29 REMARK 500 15 LYS A 5 102.00 65.95 REMARK 500 15 PRO A 11 70.81 -64.54 REMARK 500 15 GLU A 20 -80.30 -148.35 REMARK 500 16 ARG A 4 -169.43 -119.96 REMARK 500 16 GLU A 20 51.97 -98.41 REMARK 500 17 GLU A 20 136.39 63.74 REMARK 500 18 ARG A 4 -40.07 -136.46 REMARK 500 18 LYS A 5 115.41 -164.44 REMARK 500 18 ARG A 13 -52.84 -173.89 REMARK 500 19 LYS A 5 78.66 -153.36 REMARK 500 19 ARG A 13 -37.48 -180.00 REMARK 500 19 GLU A 20 -163.72 -164.21 REMARK 500 20 ARG A 13 -41.33 -172.22 REMARK 500 21 LYS A 5 102.70 -58.44 REMARK 500 21 ARG A 13 84.63 -177.06 REMARK 500 21 GLU A 20 -169.90 -64.72 REMARK 500 22 LYS A 5 106.04 57.63 REMARK 500 22 GLU A 20 167.71 57.30 REMARK 500 23 ARG A 4 -160.54 -100.16 REMARK 500 23 PRO A 11 88.98 -53.18 REMARK 500 23 ARG A 13 38.86 -163.21 REMARK 500 24 LYS A 5 86.73 58.80 REMARK 500 25 LYS A 5 93.13 47.82 REMARK 500 REMARK 500 THIS ENTRY HAS 63 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2ESX RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 2ESZ A 3 21 UNP P20871 ENV_HV1JR 301 319 SEQRES 1 A 19 THR ARG LYS SER ILE HIS ILE GLY PRO GLY ARG ALA PHE SEQRES 2 A 19 TYR THR THR GLY GLU ILE SHEET 1 A 2 ILE A 7 HIS A 8 0 SHEET 2 A 2 TYR A 16 THR A 17 -1 O TYR A 16 N HIS A 8 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 - 9 20 Bytes