Header list of 1qlo.pdb file
Complete list - 15 20 Bytes
HEADER MEMBRANE PROTEINS 09-SEP-99 1QLO
TITLE STRUCTURE OF THE ACTIVE DOMAIN OF THE HERPES SIMPLEX VIRUS PROTEIN
TITLE 2 ICP47 IN WATER/SODIUM DODECYL SULFATE SOLUTION DETERMINED BY NUCLEAR
TITLE 3 MAGNETIC RESONANCE SPECTROSCOPY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HERPES SIMPLEX VIRUS PROTEIN ICP47;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ACTIVE DOMAIN;
COMPND 5 SYNONYM: IMMEDIATE-EARLY PROTEIN IE12, IMMEDIATE-EARLY-5, VMW12;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HERPES SIMPLEX VIRUS;
SOURCE 3 ORGANISM_TAXID: 10299;
SOURCE 4 STRAIN: TYPE 1 - STRAIN 17;
SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 7108
KEYWDS MEMBRANE PROTEINS, HERPES SIMPLEX VIRUS, PROTEIN ICP47
EXPDTA SOLUTION NMR
NUMMDL 19
AUTHOR R.PFAENDER,L.NEUMANN,M.ZWECKSTETTER,C.SEGER,T.A.HOLAK,R.TAMPE
REVDAT 3 15-JAN-20 1QLO 1 REMARK
REVDAT 2 24-FEB-09 1QLO 1 VERSN
REVDAT 1 14-DEC-99 1QLO 0
JRNL AUTH R.PFAENDER,L.NEUMANN,M.ZWECKSTETTER,C.SEGER,T.A.HOLAK,
JRNL AUTH 2 R.TAMPE
JRNL TITL THE STRUCTURE OF THE ACTIVE DOMAIN OF THE HERPES SIMPLEX
JRNL TITL 2 VIRUS PROTEIN ICP47 IN WATER/SODIUM DODECYL SULFATE SOLUTION
JRNL TITL 3 DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY.
JRNL REF BIOCHEMISTRY V. 38 13692 1999
JRNL REFN ISSN 0006-2960
JRNL PMID 10521276
JRNL DOI 10.1021/BI9909647
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1QLO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 09-SEP-99.
REMARK 100 THE DEPOSITION ID IS D_1290004047.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 307
REMARK 210 PH : 7.4
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : AMX; DRX; DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 19
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: SEE ARTICLE
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: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 16 ASP A 27 N ASP A 27 CA 0.150
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 16 GLU A 28 N - CA - C ANGL. DEV. = -20.8 DEGREES
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 SER A 2 -175.03 54.48
REMARK 500 1 TRP A 3 52.78 -97.73
REMARK 500 1 ARG A 16 57.49 -93.03
REMARK 500 1 ARG A 20 -51.70 -128.91
REMARK 500 1 ASP A 24 -74.63 -75.70
REMARK 500 1 ILE A 29 20.27 -77.30
REMARK 500 1 ARG A 32 46.49 -104.02
REMARK 500 2 TRP A 3 -148.87 -178.93
REMARK 500 2 PHE A 11 -73.92 -70.45
REMARK 500 2 MET A 15 55.12 -112.87
REMARK 500 2 VAL A 17 48.97 -158.86
REMARK 500 2 ARG A 20 -84.45 -154.32
REMARK 500 2 TYR A 22 -39.91 162.85
REMARK 500 2 ALA A 23 -81.64 -59.76
REMARK 500 2 ASP A 27 -25.58 -39.33
REMARK 500 2 GLU A 28 86.49 -65.12
REMARK 500 2 ILE A 29 52.62 93.56
REMARK 500 2 ASN A 30 37.30 28.78
REMARK 500 2 LYS A 31 52.50 111.22
REMARK 500 2 ARG A 32 -145.98 -162.39
REMARK 500 3 TRP A 3 -155.63 -99.13
REMARK 500 3 MET A 15 58.41 -92.99
REMARK 500 3 VAL A 17 -5.80 97.70
REMARK 500 3 ARG A 20 -142.65 -114.76
REMARK 500 3 THR A 21 -173.27 -175.64
REMARK 500 3 ASN A 30 -64.16 -103.84
REMARK 500 3 ARG A 32 42.73 -108.09
REMARK 500 4 SER A 2 -155.56 -165.33
REMARK 500 4 TRP A 3 -92.19 -64.07
REMARK 500 4 TYR A 22 -102.18 -176.11
REMARK 500 4 ALA A 23 -87.66 24.66
REMARK 500 4 ILE A 29 20.14 -77.54
REMARK 500 4 ASN A 30 -65.42 -109.23
REMARK 500 5 SER A 2 82.34 165.06
REMARK 500 5 TRP A 3 -148.19 -63.23
REMARK 500 5 PHE A 11 -70.10 172.15
REMARK 500 5 THR A 21 -166.79 -118.12
REMARK 500 5 TYR A 22 -56.31 -164.79
REMARK 500 5 ILE A 29 4.93 -65.73
REMARK 500 5 ASN A 30 -61.38 -90.56
REMARK 500 5 ARG A 32 47.31 -90.16
REMARK 500 6 ALA A 4 34.61 -84.29
REMARK 500 6 ASP A 9 -148.79 -32.16
REMARK 500 6 THR A 10 75.99 -32.38
REMARK 500 6 PHE A 11 17.64 47.94
REMARK 500 6 MET A 15 54.60 -92.81
REMARK 500 6 PRO A 19 -165.39 -79.07
REMARK 500 6 ASP A 24 -70.50 -74.98
REMARK 500 7 TRP A 3 -164.00 177.76
REMARK 500 7 ALA A 4 34.70 -96.41
REMARK 500
REMARK 500 THIS ENTRY HAS 186 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 16 0.26 SIDE CHAIN
REMARK 500 1 ARG A 20 0.31 SIDE CHAIN
REMARK 500 1 ARG A 26 0.32 SIDE CHAIN
REMARK 500 1 ARG A 32 0.10 SIDE CHAIN
REMARK 500 1 ARG A 34 0.28 SIDE CHAIN
REMARK 500 2 ARG A 16 0.25 SIDE CHAIN
REMARK 500 2 ARG A 20 0.26 SIDE CHAIN
REMARK 500 2 ARG A 26 0.31 SIDE CHAIN
REMARK 500 2 ARG A 32 0.29 SIDE CHAIN
REMARK 500 2 ARG A 34 0.30 SIDE CHAIN
REMARK 500 3 ARG A 16 0.17 SIDE CHAIN
REMARK 500 3 ARG A 20 0.24 SIDE CHAIN
REMARK 500 3 ARG A 26 0.29 SIDE CHAIN
REMARK 500 3 ARG A 34 0.11 SIDE CHAIN
REMARK 500 4 ARG A 16 0.18 SIDE CHAIN
REMARK 500 4 ARG A 20 0.32 SIDE CHAIN
REMARK 500 4 ARG A 26 0.21 SIDE CHAIN
REMARK 500 4 ARG A 32 0.30 SIDE CHAIN
REMARK 500 4 ARG A 34 0.28 SIDE CHAIN
REMARK 500 5 ARG A 16 0.12 SIDE CHAIN
REMARK 500 5 ARG A 20 0.31 SIDE CHAIN
REMARK 500 5 ARG A 26 0.26 SIDE CHAIN
REMARK 500 5 ARG A 32 0.11 SIDE CHAIN
REMARK 500 6 ARG A 16 0.32 SIDE CHAIN
REMARK 500 6 ARG A 20 0.17 SIDE CHAIN
REMARK 500 6 ARG A 26 0.32 SIDE CHAIN
REMARK 500 6 ARG A 32 0.32 SIDE CHAIN
REMARK 500 6 ARG A 34 0.21 SIDE CHAIN
REMARK 500 7 ARG A 16 0.28 SIDE CHAIN
REMARK 500 7 ARG A 26 0.32 SIDE CHAIN
REMARK 500 7 ARG A 32 0.23 SIDE CHAIN
REMARK 500 7 ARG A 34 0.28 SIDE CHAIN
REMARK 500 8 ARG A 16 0.26 SIDE CHAIN
REMARK 500 8 ARG A 20 0.20 SIDE CHAIN
REMARK 500 8 ARG A 26 0.29 SIDE CHAIN
REMARK 500 8 ARG A 32 0.25 SIDE CHAIN
REMARK 500 8 ARG A 34 0.20 SIDE CHAIN
REMARK 500 9 ARG A 16 0.20 SIDE CHAIN
REMARK 500 9 ARG A 20 0.25 SIDE CHAIN
REMARK 500 9 ARG A 26 0.28 SIDE CHAIN
REMARK 500 9 ARG A 32 0.31 SIDE CHAIN
REMARK 500 9 ARG A 34 0.14 SIDE CHAIN
REMARK 500 10 ARG A 16 0.31 SIDE CHAIN
REMARK 500 10 ARG A 20 0.20 SIDE CHAIN
REMARK 500 10 ARG A 26 0.29 SIDE CHAIN
REMARK 500 10 ARG A 32 0.32 SIDE CHAIN
REMARK 500 10 ARG A 34 0.20 SIDE CHAIN
REMARK 500 11 ARG A 16 0.19 SIDE CHAIN
REMARK 500 11 ARG A 20 0.28 SIDE CHAIN
REMARK 500 11 ARG A 26 0.31 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 89 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4557 RELATED DB: BMRB
DBREF 1QLO A 1 34 UNP P03170 IE12_HSV11 1 34
SEQRES 1 A 34 MET SER TRP ALA LEU GLU MET ALA ASP THR PHE LEU ASP
SEQRES 2 A 34 ASN MET ARG VAL GLY PRO ARG THR TYR ALA ASP VAL ARG
SEQRES 3 A 34 ASP GLU ILE ASN LYS ARG GLY ARG
HELIX 1 1 ALA A 4 ASN A 14 1 11
HELIX 2 2 THR A 21 ARG A 32 1 12
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 - 15 20 Bytes