Header list of 1hev.pdb file
Complete list - 29 20 Bytes
HEADER LECTIN 14-JAN-93 1HEV
TITLE HEVEIN: THE NMR ASSIGNMENT AND AN ASSESSMENT OF SOLUTION-STATE FOLDING
TITLE 2 FOR THE AGGLUTININ-TOXIN MOTIF
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEVEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS;
SOURCE 3 ORGANISM_TAXID: 3981
KEYWDS LECTIN
EXPDTA SOLUTION NMR
NUMMDL 6
AUTHOR N.H.ANDERSEN,B.CAO
REVDAT 4 29-NOV-17 1HEV 1 REMARK HELIX
REVDAT 3 24-FEB-09 1HEV 1 VERSN
REVDAT 2 01-APR-03 1HEV 1 JRNL
REVDAT 1 31-JAN-94 1HEV 0
JRNL AUTH N.H.ANDERSEN,B.CAO,A.RODRIGUEZ-ROMERO,B.ARREGUIN
JRNL TITL HEVEIN: NMR ASSIGNMENT AND ASSESSMENT OF SOLUTION-STATE
JRNL TITL 2 FOLDING FOR THE AGGLUTININ-TOXIN MOTIF.
JRNL REF BIOCHEMISTRY V. 32 1407 1993
JRNL REFN ISSN 0006-2960
JRNL PMID 8431421
JRNL DOI 10.1021/BI00057A004
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH N.H.ANDERSEN,B.CAO,C.CHEN
REMARK 1 TITL PEPTIDE(SLASH)PROTEIN STRUCTURE ANALYSIS USING THE CHEMICAL
REMARK 1 TITL 2 SHIFT INDEX METHOD: UPFIELD ALPHA-CH VALUES REVEAL DYNAMIC
REMARK 1 TITL 3 HELICES AND ALPHA L SITES
REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 184 1008 1992
REMARK 1 REFN ISSN 0006-291X
REMARK 1 REFERENCE 2
REMARK 1 AUTH N.H.ANDERSEN,C.CHEN,T.M.MARSCHNER,S.R.KRYSTEK JUNIOR,
REMARK 1 AUTH 2 D.A.BASSOLINO
REMARK 1 TITL CONFORMATIONAL ISOMERISM OF ENDOTHELIN IN ACIDIC AQUEOUS
REMARK 1 TITL 2 MEDIA: A QUANTITATIVE NOESY ANALYSIS
REMARK 1 REF BIOCHEMISTRY V. 31 1280 1992
REMARK 1 REFN ISSN 0006-2960
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1HEV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173819.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 6
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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: 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: 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 1 HIS A 35 CG HIS A 35 CD2 0.058
REMARK 500 2 HIS A 35 CG HIS A 35 CD2 0.056
REMARK 500 3 HIS A 35 CG HIS A 35 CD2 0.058
REMARK 500 4 HIS A 35 CG HIS A 35 CD2 0.059
REMARK 500 5 HIS A 35 CG HIS A 35 CD2 0.058
REMARK 500 6 HIS A 35 CG HIS A 35 CD2 0.058
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 GLN A 6 30.73 -73.61
REMARK 500 1 ALA A 7 -5.43 -153.72
REMARK 500 1 ASN A 14 17.29 51.63
REMARK 500 1 LEU A 16 171.33 -52.70
REMARK 500 1 SER A 26 61.30 -119.23
REMARK 500 1 ASN A 36 71.02 57.90
REMARK 500 2 GLN A 6 37.11 -86.03
REMARK 500 2 ALA A 7 8.04 -171.24
REMARK 500 2 ASN A 14 20.55 -79.58
REMARK 500 2 SER A 26 63.35 -116.49
REMARK 500 3 GLN A 6 33.19 -85.17
REMARK 500 3 ALA A 7 -5.27 -162.12
REMARK 500 3 ASN A 14 24.93 -75.49
REMARK 500 3 TRP A 21 1.62 -65.39
REMARK 500 3 SER A 26 61.40 -114.93
REMARK 500 3 ASN A 36 72.91 54.88
REMARK 500 4 CYS A 3 -164.36 -166.69
REMARK 500 4 GLN A 6 39.89 -95.23
REMARK 500 4 ALA A 7 1.23 -172.70
REMARK 500 5 GLN A 6 30.73 -73.61
REMARK 500 5 ALA A 7 -5.43 -153.72
REMARK 500 5 ASN A 14 17.29 51.63
REMARK 500 5 LEU A 16 171.33 -52.70
REMARK 500 5 SER A 26 61.30 -119.23
REMARK 500 5 ASN A 36 71.02 57.90
REMARK 500 6 GLN A 6 33.63 -85.44
REMARK 500 6 ALA A 7 14.14 -162.18
REMARK 500 6 PRO A 13 20.77 -63.13
REMARK 500 6 ASN A 14 -9.85 73.32
REMARK 500 6 ASN A 36 47.71 72.60
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 5 0.26 SIDE CHAIN
REMARK 500 2 ARG A 5 0.26 SIDE CHAIN
REMARK 500 3 ARG A 5 0.31 SIDE CHAIN
REMARK 500 4 ARG A 5 0.23 SIDE CHAIN
REMARK 500 5 ARG A 5 0.26 SIDE CHAIN
REMARK 500 6 ARG A 5 0.30 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1HEV A 1 43 UNP P02877 HEVE_HEVBR 18 60
SEQRES 1 A 43 GLU GLN CYS GLY ARG GLN ALA GLY GLY LYS LEU CYS PRO
SEQRES 2 A 43 ASN ASN LEU CYS CYS SER GLN TRP GLY TRP CYS GLY SER
SEQRES 3 A 43 THR ASP GLU TYR CYS SER PRO ASP HIS ASN CYS GLN SER
SEQRES 4 A 43 ASN CYS LYS ASP
HELIX 1 A ASP A 28 CYS A 31 1 4
HELIX 2 B PRO A 33 HIS A 35 5 3
SHEET 1 BS1 3 TRP A 23 SER A 26 0
SHEET 2 BS1 3 LEU A 16 SER A 19 -1
SHEET 3 BS1 3 GLN A 38 ASN A 40 -1
SSBOND 1 CYS A 3 CYS A 18 1555 1555 2.04
SSBOND 2 CYS A 12 CYS A 24 1555 1555 2.04
SSBOND 3 CYS A 17 CYS A 31 1555 1555 2.04
SSBOND 4 CYS A 37 CYS A 41 1555 1555 2.04
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 - 29 20 Bytes