Header list of 1hy8.pdb file
Complete list - 23 20 Bytes
HEADER LIPID BINDING PROTEIN 18-JAN-01 1HY8
TITLE SOLUTION STRUCTURE OF B. SUBTILIS ACYL CARRIER PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACYL CARRIER PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: ACP;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;
SOURCE 3 ORGANISM_TAXID: 1423;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21DE3;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1
KEYWDS APO-ACP, HOLO-ACP, ACPS, FATTY ACID BIOSYNTHESIS, 4'
KEYWDS 2 PHOSPHOPANTETHEINE PROSTHETIC GROUP, LIPID BINDING PROTEIN
EXPDTA SOLUTION NMR
AUTHOR G.-Y.XU,A.TAM,L.LIN,J.HIXON,C.C.FRITZ,R.POWER
REVDAT 4 23-FEB-22 1HY8 1 REMARK
REVDAT 3 24-FEB-09 1HY8 1 VERSN
REVDAT 2 01-APR-03 1HY8 1 JRNL
REVDAT 1 23-JAN-02 1HY8 0
JRNL AUTH G.Y.XU,A.TAM,L.LIN,J.HIXON,C.C.FRITZ,R.POWERS
JRNL TITL SOLUTION STRUCTURE OF B. SUBTILIS ACYL CARRIER PROTEIN.
JRNL REF STRUCTURE V. 9 277 2001
JRNL REFN ISSN 0969-2126
JRNL PMID 11525165
JRNL DOI 10.1016/S0969-2126(01)00586-X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 98.0, X-PLOR 98.0
REMARK 3 AUTHORS : BADGER, J., KUMAR, R.A., YIP, P. (X-PLOR), BADGER,
REMARK 3 J., KUMAR, R.A., YIP, P. (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1050 DISTANCE CONSTRAINTS FROM NOE AND H-BOND, 96 DIHEDRAL ANGLE
REMARK 3 CONSTRAINTS FROM TALOS PROGRAM AND 76 PAIRS OF CA/CB CHEMICAL
REMARK 3 SHIFT CONSTRAINTS
REMARK 4
REMARK 4 1HY8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JAN-01.
REMARK 100 THE DEPOSITION ID IS D_1000012681.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : 3.4
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM SAMPLE IS THE MIXTURE OF U
REMARK 210 -15N/13C LABELED HOLO- (60%)AND
REMARK 210 APO-ACP (40%)
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 1.8, 2000, PIPP 4.2.2,
REMARK 210 1998
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR 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 : NULL
REMARK 210
REMARK 210 REMARK:
REMARK 210 THIS STRUCTURE WAS DETERMININED USING 3D TRIPLE-RESONANCE
REMARK 210 EXPERIMENTS WITH THE ENHANCED-SENSITIVITY PULSE FIELD GRADIENT
REMARK 210 APPROACH,
REMARK 210 SIMULTANEOUS 15N/13C-EDITED NOESY AND 2D CONSTANT TIME 13C-1H HSQC
REMARK 210 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: 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 O ASP A 58 H ILE A 62 1.54
REMARK 500 O LEU A 4 H THR A 8 1.59
REMARK 500 O VAL A 7 H ILE A 11 1.59
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 ARG A 14 -87.92 -101.11
REMARK 500 VAL A 17 -85.96 59.77
REMARK 500 GLU A 19 75.84 64.28
REMARK 500 ALA A 20 -42.39 170.07
REMARK 500 LYS A 29 -45.11 -172.44
REMARK 500 VAL A 39 -75.51 -59.62
REMARK 500 ASP A 51 83.28 57.85
REMARK 500 ASP A 58 -77.63 -71.32
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 ARG A 6 0.27 SIDE CHAIN
REMARK 500 ARG A 14 0.27 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1HY8 A 1 76 UNP P80643 ACP_BACSU 2 77
SEQRES 1 A 76 ALA ASP THR LEU GLU ARG VAL THR LYS ILE ILE VAL ASP
SEQRES 2 A 76 ARG LEU GLY VAL ASP GLU ALA ASP VAL LYS LEU GLU ALA
SEQRES 3 A 76 SER PHE LYS GLU ASP LEU GLY ALA ASP SER LEU ASP VAL
SEQRES 4 A 76 VAL GLU LEU VAL MET GLU LEU GLU ASP GLU PHE ASP MET
SEQRES 5 A 76 GLU ILE SER ASP GLU ASP ALA GLU LYS ILE ALA THR VAL
SEQRES 6 A 76 GLY ASP ALA VAL ASN TYR ILE GLN ASN GLN GLN
HELIX 1 1 ALA A 1 ARG A 14 1 14
HELIX 2 2 ASP A 35 PHE A 50 1 16
HELIX 3 3 SER A 55 ILE A 62 1 8
HELIX 4 4 THR A 64 GLN A 76 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
Complete list - 23 20 Bytes