Header list of 1j5b.pdb file
Complete list - 23 20 Bytes
HEADER ANTIFREEZE PROTEIN 22-MAR-02 1J5B
TITLE SOLUTION STRUCTURE OF A HYDROPHOBIC ANALOGUE OF THE WINTER FLOUNDER
TITLE 2 ANTIFREEZE PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ANTIFREEZE PROTEIN TYPE 1 ANALOGUE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THIS PEPTIDE OCCURS NATURALLY IN PSEUDOPLEURONECTES AMERICANUS
SOURCE 5 (WINTER FLOUNDER).
KEYWDS ALPHA HELIX, ANTIFREEZE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
MDLTYP MINIMIZED AVERAGE
AUTHOR E.LIEPINSH,G.OTTING,M.M.HARDING,L.G.WARD,J.P.MACKAY,A.D.HAYMET
REVDAT 4 23-FEB-22 1J5B 1 REMARK LINK
REVDAT 3 24-FEB-09 1J5B 1 VERSN
REVDAT 2 21-JAN-03 1J5B 1 HEADER
REVDAT 1 27-MAR-02 1J5B 0
SPRSDE 27-MAR-02 1J5B 1K16
JRNL AUTH E.LIEPINSH,G.OTTING,M.M.HARDING,L.G.WARD,J.P.MACKAY,
JRNL AUTH 2 A.D.HAYMET
JRNL TITL SOLUTION STRUCTURE OF A HYDROPHOBIC ANALOGUE OF THE WINTER
JRNL TITL 2 FLOUNDER ANTIFREEZE PROTEIN.
JRNL REF EUR.J.BIOCHEM. V. 269 1259 2002
JRNL REFN ISSN 0014-2956
JRNL PMID 11856360
JRNL DOI 10.1046/J.1432-1033.2002.02766.X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : UXNMR 2.5, DYANA 1.5, OPAL 2.6
REMARK 3 AUTHORS : BRUKER (UXNMR), GUENTERT (DYANA), LGINBUEHL (OPAL)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1J5B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAR-02.
REMARK 100 THE DEPOSITION ID IS D_1000001630.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283; 283
REMARK 210 PH : 7.0; 7.0
REMARK 210 IONIC STRENGTH : 0.1; 0.1
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 2 MM PEPTIDE; 90% H2O, 10% D2O;
REMARK 210 2 MM PEPTIDE; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; DQF-COSY; 2D 1H
REMARK 210 -1H TOCSY; 2D 1H-1H ROESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 2.2, MOLMOL 1
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY,TARGET
REMARK 210 FUNCTION
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 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 38
DBREF 1J5B A 1 37 UNP Q7SIC4 Q7SIC4_PSEAM 1 37
SEQRES 1 A 38 ASP VAL ALA SER ASP ALA LYS ALA ALA ALA GLU LEU VAL
SEQRES 2 A 38 ALA ALA ASN ALA LYS ALA ALA ALA GLU LEU VAL ALA ALA
SEQRES 3 A 38 ASN ALA LYS ALA ALA ALA GLU ALA VAL ALA ARG NH2
HET NH2 A 38 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
HELIX 1 1 ASP A 1 ARG A 37 1 37
LINK C ARG A 37 N NH2 A 38 1555 1555 1.33
SITE 1 AC1 3 VAL A 35 ALA A 36 ARG A 37
CRYST1 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 - 23 20 Bytes