Header list of 1xop.pdb file
Complete list - 2 20 Bytes
HEADER VIRAL PROTEIN 06-OCT-04 1XOP
TITLE NMR STRUCTURE OF G1V MUTANT OF INFLUENZA HEMAGGLUTININ FUSION PEPTIDE
TITLE 2 IN DPC MICELLES AT PH 5
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEMAGGLUTININ;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS DERIVED FROM INFLUENZA HEMAGGLUTININ
SOURCE 4 RESIDUES 1 TO 20, EXCEPT THAT THE FIRST RESIDUE G WAS REPLACED WITH
SOURCE 5 V.
KEYWDS HELIX-KINK-HELIX, VIRAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR Y.LI,X.HAN,A.L.LAI,J.H.BUSHWELLER,D.S.CAFISO,L.K.TAMM
REVDAT 3 02-MAR-22 1XOP 1 REMARK
REVDAT 2 24-FEB-09 1XOP 1 VERSN
REVDAT 1 27-SEP-05 1XOP 0
JRNL AUTH Y.LI,X.HAN,A.L.LAI,J.H.BUSHWELLER,D.S.CAFISO,L.K.TAMM
JRNL TITL MEMBRANE STRUCTURES OF THE HEMIFUSION-INDUCING FUSION
JRNL TITL 2 PEPTIDE MUTANT G1S AND THE FUSION-BLOCKING MUTANT G1V OF
JRNL TITL 3 INFLUENZA VIRUS HEMAGGLUTININ SUGGEST A MECHANISM FOR PORE
JRNL TITL 4 OPENING IN MEMBRANE FUSION.
JRNL REF J.VIROL. V. 79 12065 2005
JRNL REFN ISSN 0022-538X
JRNL PMID 16140782
JRNL DOI 10.1128/JVI.79.18.12065-12076.2005
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, OPAL 2.6
REMARK 3 AUTHORS : GUNTERT, P. (DYANA), LUGINBULH, P. (OPAL)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1XOP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-OCT-04.
REMARK 100 THE DEPOSITION ID IS D_1000030587.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 5
REMARK 210 IONIC STRENGTH : 0.02
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2 MM PEPTIDE IN THE PRESENCE OF
REMARK 210 200 MM D38-DPC IN 0.05% NAN3, 5
REMARK 210 MM DTT, 20 MM D4-ACETIC ACID, PH
REMARK 210 5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; 2D NOESY; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 25
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
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 STURCTURE 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 MET A 17 60.62 -162.81
REMARK 500 2 MET A 17 -6.81 -145.67
REMARK 500 3 MET A 17 -34.94 -146.67
REMARK 500 3 ILE A 18 -85.29 -95.87
REMARK 500 4 LEU A 2 170.61 63.95
REMARK 500 4 ALA A 7 -42.88 -132.42
REMARK 500 6 GLU A 11 -60.87 -104.82
REMARK 500 6 TRP A 14 -68.34 -127.44
REMARK 500 6 GLU A 15 23.79 -74.16
REMARK 500 6 MET A 17 64.76 -153.65
REMARK 500 8 GLU A 11 -61.21 -97.70
REMARK 500 8 TRP A 14 -69.65 -130.39
REMARK 500 8 GLU A 15 23.43 -78.51
REMARK 500 9 GLU A 15 23.89 -76.80
REMARK 500 9 MET A 17 73.93 58.53
REMARK 500 9 ASP A 19 -168.45 63.69
REMARK 500 10 GLU A 11 -65.60 -92.71
REMARK 500 10 TRP A 14 -74.66 -130.78
REMARK 500 10 GLU A 15 23.71 -79.75
REMARK 500 10 ASP A 19 14.75 49.55
REMARK 500 11 LEU A 2 167.56 61.37
REMARK 500 11 ALA A 5 -61.80 -93.03
REMARK 500 11 ALA A 7 -43.59 -131.26
REMARK 500 12 LEU A 2 -179.02 59.31
REMARK 500 12 MET A 17 -18.84 -170.43
REMARK 500 13 GLU A 15 23.45 -79.54
REMARK 500 13 ASP A 19 4.03 50.14
REMARK 500 15 LEU A 2 154.65 64.24
REMARK 500 15 GLU A 11 -63.57 -92.91
REMARK 500 15 TRP A 14 -76.05 -114.10
REMARK 500 15 ASP A 19 -143.85 50.41
REMARK 500 16 ALA A 7 -44.75 -134.42
REMARK 500 17 MET A 17 -10.71 -159.21
REMARK 500 18 LEU A 2 174.26 62.03
REMARK 500 18 ALA A 7 -44.79 -136.92
REMARK 500 18 TRP A 14 -68.37 -128.26
REMARK 500 18 GLU A 15 23.71 -77.36
REMARK 500 19 LEU A 2 168.44 59.35
REMARK 500 20 MET A 17 -36.15 -145.45
REMARK 500 21 LEU A 2 173.48 58.34
REMARK 500 21 MET A 17 -9.51 -143.33
REMARK 500 22 GLU A 15 23.54 -79.42
REMARK 500 22 ASP A 19 80.86 27.32
REMARK 500 23 LEU A 2 170.38 59.77
REMARK 500 23 ILE A 18 -63.14 -135.06
REMARK 500 23 ASP A 19 144.38 62.39
REMARK 500 24 LEU A 2 -177.70 59.34
REMARK 500 24 GLU A 15 41.84 -78.48
REMARK 500 25 LEU A 2 173.52 59.60
REMARK 500 25 ALA A 7 -47.51 -133.60
REMARK 500
REMARK 500 THIS ENTRY HAS 52 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 VAL A 1 LEU A 2 1 138.43
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1XOO RELATED DB: PDB
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 NO SUITABLE SEQUENCE DATABASE REFERENCE WAS
REMARK 999 AVAILABLE FOR THIS PROTEIN.
DBREF 1XOP A 1 20 PDB 1XOP 1XOP 1 20
SEQRES 1 A 20 VAL LEU PHE GLY ALA ILE ALA GLY PHE ILE GLU ASN GLY
SEQRES 2 A 20 TRP GLU GLY MET ILE ASP GLY
HELIX 1 1 PHE A 3 GLU A 15 1 13
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