Header list of 2dci.pdb file
Complete list - 10 20 Bytes
HEADER VIRAL PROTEIN 07-JAN-06 2DCI TITLE NMR STRUCTURE OF INFLUENZA HA FUSION PEPTIDE MUTANT W14A IN DPC IN PH5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMAGGLUTININ; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: INFLUENZA HEMAGGLUTININ FUSION PEPTIDE; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: DERIVED FROM THE INFLUENZA (X11) HEMAGGLUTININ HA2, SOURCE 4 RESIDUE 1-20 EXCEPT THE 14TH RESIDUE W WAS REPLACED WITH A. KEYWDS HA, FUSION PEPTIDE, VIRAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 33 AUTHOR L.K.TAMM,A.L.LAI REVDAT 4 10-NOV-21 2DCI 1 REMARK SEQADV REVDAT 3 24-FEB-09 2DCI 1 VERSN REVDAT 2 04-APR-06 2DCI 1 JRNL REVDAT 1 24-JAN-06 2DCI 0 JRNL AUTH A.L.LAI,H.PARK,J.M.WHITE,L.K.TAMM JRNL TITL FUSION PEPTIDE OF INFLUENZA HEMAGGLUTININ REQUIRES A FIXED JRNL TITL 2 ANGLE BOOMERANG STRUCTURE FOR ACTIVITY JRNL REF J.BIOL.CHEM. V. 281 5760 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16407195 JRNL DOI 10.1074/JBC.M512280200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPAL REMARK 3 AUTHORS : LUGINBUHL, P., GUNTERT, P., BILLETER, M. & REMARK 3 WUTHRICH K. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2DCI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-JAN-06. REMARK 100 THE DEPOSITION ID IS D_1000025251. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2MM PEPTIDE, 400MM D38-DPC, 5MM REMARK 210 DTT, 20 MMD4-ACETIC ACID, PH 5; REMARK 210 95% H2O, 5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY 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 : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 33 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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. 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 ILE A 6 -92.68 -116.09 REMARK 500 1 ALA A 7 -86.83 24.38 REMARK 500 1 ASN A 12 -59.75 -147.41 REMARK 500 2 ILE A 6 -95.03 -116.37 REMARK 500 2 ALA A 7 -84.82 31.33 REMARK 500 2 ILE A 10 -54.89 -123.92 REMARK 500 2 ASN A 12 -33.72 -139.00 REMARK 500 2 ALA A 14 61.21 -117.98 REMARK 500 3 ILE A 6 -103.68 -103.59 REMARK 500 3 ALA A 7 -82.19 29.13 REMARK 500 3 ALA A 14 76.54 96.49 REMARK 500 4 ILE A 6 -105.28 -116.24 REMARK 500 4 ALA A 7 -77.02 27.86 REMARK 500 4 ASN A 12 -37.61 -156.46 REMARK 500 4 ALA A 14 108.57 95.28 REMARK 500 5 ILE A 6 -92.28 -116.62 REMARK 500 5 ALA A 7 -81.69 27.53 REMARK 500 5 ILE A 10 -61.26 -103.28 REMARK 500 5 ALA A 14 112.44 67.35 REMARK 500 6 ILE A 6 -104.35 -116.28 REMARK 500 6 ALA A 7 -77.35 28.04 REMARK 500 6 ASN A 12 -41.19 -154.47 REMARK 500 6 ALA A 14 93.22 -168.58 REMARK 500 7 ILE A 6 -104.99 -116.19 REMARK 500 7 ALA A 7 -80.18 31.05 REMARK 500 7 ASN A 12 -61.86 -139.47 REMARK 500 7 ALA A 14 20.39 -162.45 REMARK 500 8 ILE A 6 -105.52 -116.12 REMARK 500 8 ALA A 7 -82.35 30.22 REMARK 500 8 ASN A 12 -51.07 -145.54 REMARK 500 8 ALA A 14 105.18 96.09 REMARK 500 8 ASP A 19 -148.39 55.51 REMARK 500 9 ILE A 6 -104.54 -115.83 REMARK 500 9 ALA A 7 -79.09 30.63 REMARK 500 9 ASP A 19 -93.69 50.92 REMARK 500 10 ILE A 6 -105.81 -116.17 REMARK 500 10 ALA A 7 -79.36 27.75 REMARK 500 10 ASN A 12 -59.52 -148.46 REMARK 500 10 ALA A 14 5.07 -155.57 REMARK 500 11 ILE A 6 -105.70 -116.16 REMARK 500 11 ALA A 7 -78.70 28.30 REMARK 500 11 ASN A 12 -55.57 -161.97 REMARK 500 12 ILE A 6 -105.92 -116.38 REMARK 500 12 ALA A 7 -78.11 27.78 REMARK 500 12 ASN A 12 -34.05 -164.33 REMARK 500 12 ALA A 14 101.70 88.52 REMARK 500 13 ILE A 6 -97.39 -116.42 REMARK 500 13 ALA A 7 -86.65 26.68 REMARK 500 13 ASN A 12 -7.87 -146.43 REMARK 500 13 ASP A 19 -105.65 43.66 REMARK 500 REMARK 500 THIS ENTRY HAS 124 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IBN RELATED DB: PDB REMARK 900 WT IN PH5 REMARK 900 RELATED ID: 1IBO RELATED DB: PDB REMARK 900 WT IN PH7 REMARK 900 RELATED ID: 1XOO RELATED DB: PDB REMARK 900 G1S IN PH5 REMARK 900 RELATED ID: 1XOP RELATED DB: PDB REMARK 900 G1V IN PH5 DBREF 2DCI A 1 20 UNP P11134 HEMA_IAZH3 330 349 SEQADV 2DCI ALA A 14 UNP P11134 TRP 343 ENGINEERED MUTATION SEQRES 1 A 20 GLY LEU PHE GLY ALA ILE ALA GLY PHE ILE GLU ASN GLY SEQRES 2 A 20 ALA GLU GLY MET ILE ASP GLY HELIX 1 1 GLY A 1 ILE A 10 5 10 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 - 10 20 Bytes