Header list of 2fxp.pdb file
Complete list - 9 20 Bytes
HEADER VIRAL PROTEIN 06-FEB-06 2FXP
TITLE SOLUTION STRUCTURE OF THE SARS-CORONAVIRUS HR2 DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SPIKE GLYCOPROTEIN;
COMPND 3 CHAIN: A, B, C;
COMPND 4 FRAGMENT: HR2 DOMAIN, RESIDUES 1140-1193;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS;
SOURCE 3 ORGANISM_TAXID: 227859;
SOURCE 4 GENE: S;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS PREFUSION INTERMEDIATE, TRIMER, COILED-COIL, VIRAL PROTEIN
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR M.CAFFREY,S.HAKANSSON-MCREYNOLDS,S.JIANG
REVDAT 4 09-MAR-22 2FXP 1 REMARK SEQADV
REVDAT 3 20-MAY-08 2FXP 1 JRNL VERSN
REVDAT 2 06-FEB-07 2FXP 1 DBREF SEQADV
REVDAT 1 07-MAR-06 2FXP 0
JRNL AUTH S.HAKANSSON-MCREYNOLDS,S.JIANG,L.RONG,M.CAFFREY
JRNL TITL SOLUTION STRUCTURE OF THE SEVERE ACUTE RESPIRATORY
JRNL TITL 2 SYNDROME-CORONAVIRUS HEPTAD REPEAT 2 DOMAIN IN THE PREFUSION
JRNL TITL 3 STATE
JRNL REF J.BIOL.CHEM. V. 281 11965 2006
JRNL REFN ISSN 0021-9258
JRNL PMID 16507566
JRNL DOI 10.1074/JBC.M601174200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0, CNS 1.0
REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2FXP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-06.
REMARK 100 THE DEPOSITION ID IS D_1000036433.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 10 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM MONOMER, 10 MM PO4, PH 7.0,
REMARK 210 30% TFE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_12C
REMARK 210 -FILTERED/13C-EDITED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
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 : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: TRIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C
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 SER A 2 -74.71 -174.93
REMARK 500 PRO A 6 -165.10 -74.67
REMARK 500 SER A 14 -76.96 -69.29
REMARK 500 LYS A 49 -74.75 -99.26
REMARK 500 SER B 2 -74.71 -174.89
REMARK 500 PRO B 6 -165.05 -74.70
REMARK 500 SER B 14 -76.96 -69.28
REMARK 500 LYS B 49 -74.75 -99.29
REMARK 500 SER C 2 -74.75 -174.91
REMARK 500 PRO C 6 -165.05 -74.64
REMARK 500 SER C 14 -77.01 -69.26
REMARK 500 LYS C 49 -74.68 -99.31
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2FXP A 2 55 UNP P59594 SPIKE_CVHSA 1140 1193
DBREF 2FXP B 2 55 UNP P59594 SPIKE_CVHSA 1140 1193
DBREF 2FXP C 2 55 UNP P59594 SPIKE_CVHSA 1140 1193
SEQADV 2FXP GLY A 1 UNP P59594 CLONING ARTIFACT
SEQADV 2FXP SER A 2 UNP P59594 CLONING ARTIFACT
SEQADV 2FXP GLY B 1 UNP P59594 CLONING ARTIFACT
SEQADV 2FXP SER B 2 UNP P59594 CLONING ARTIFACT
SEQADV 2FXP GLY C 1 UNP P59594 CLONING ARTIFACT
SEQADV 2FXP SER C 2 UNP P59594 CLONING ARTIFACT
SEQRES 1 A 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE
SEQRES 2 A 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU
SEQRES 3 A 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU
SEQRES 4 A 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN
SEQRES 5 A 55 TYR ILE LYS
SEQRES 1 B 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE
SEQRES 2 B 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU
SEQRES 3 B 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU
SEQRES 4 B 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN
SEQRES 5 B 55 TYR ILE LYS
SEQRES 1 C 55 GLY SER HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE
SEQRES 2 C 55 SER GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU
SEQRES 3 C 55 ILE ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU
SEQRES 4 C 55 SER LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN
SEQRES 5 C 55 TYR ILE LYS
HELIX 1 1 ASP A 9 SER A 14 1 6
HELIX 2 2 ILE A 16 GLY A 48 1 33
HELIX 3 3 ASP B 9 SER B 14 1 6
HELIX 4 4 ILE B 16 GLY B 48 1 33
HELIX 5 5 ASP C 9 SER C 14 1 6
HELIX 6 6 ILE C 16 GLY C 48 1 33
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
Complete list - 9 20 Bytes