Header list of 2bc8.pdb file
Complete list - 22 20 Bytes
HEADER TOXIN 18-OCT-05 2BC8
TITLE [SEC2,3,8,12]-IMI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS
KEYWDS HELIX, DISULFIDE BOND, DISELENIDE BOND, CONOTOXIN, TOXIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.J.ARMISHAW
REVDAT 6 06-AUG-14 2BC8 1 LINK
REVDAT 5 09-APR-14 2BC8 1 FORMUL HET HETATM HETNAM
REVDAT 5 2 1 MODRES SEQRES
REVDAT 4 26-JUN-13 2BC8 1 HETATM LINK REMARK SEQRES
REVDAT 4 2 1 VERSN
REVDAT 3 24-FEB-09 2BC8 1 VERSN
REVDAT 2 30-MAY-06 2BC8 1 JRNL
REVDAT 1 14-MAR-06 2BC8 0
JRNL AUTH C.J.ARMISHAW,N.L.DALY,S.T.NEVIN,D.J.ADAMS,D.J.CRAIK,
JRNL AUTH 2 P.F.ALEWOOD
JRNL TITL {ALPHA}-SELENOCONOTOXINS, A NEW CLASS OF POTENT {ALPHA}7
JRNL TITL 2 NEURONAL NICOTINIC RECEPTOR ANTAGONISTS.
JRNL REF J.BIOL.CHEM. V. 281 14136 2006
JRNL REFN ISSN 0021-9258
JRNL PMID 16500898
JRNL DOI 10.1074/JBC.M512419200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, CNS 1.0
REMARK 3 AUTHORS : GUNTERT ET.AL (DYANA), BRUNGER ET.AL (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2BC8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-OCT-05.
REMARK 100 THE RCSB ID CODE IS RCSB034927.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 290
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : 1
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM [SEC2,3,8,12]-IMI; 2MM
REMARK 210 [SEC2,3,8,12]-IMI
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; E-
REMARK 210 COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 1.3.5, XEASY
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY
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: 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: 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 SEC A 2 52.26 -96.47
REMARK 500 1 TRP A 10 35.90 -88.05
REMARK 500 1 ARG A 11 -10.48 -140.84
REMARK 500 2 TRP A 10 37.32 -95.38
REMARK 500 2 ARG A 11 -32.58 -137.83
REMARK 500 3 SEC A 2 34.88 -96.04
REMARK 500 3 SEC A 3 3.52 -62.68
REMARK 500 4 SEC A 2 47.21 -95.28
REMARK 500 5 SEC A 2 55.66 -96.47
REMARK 500 5 TRP A 10 38.21 -95.80
REMARK 500 5 ARG A 11 -31.23 -137.15
REMARK 500 6 SEC A 2 58.02 -96.73
REMARK 500 6 ARG A 11 -31.71 -131.04
REMARK 500 7 SEC A 2 56.92 -96.88
REMARK 500 7 TRP A 10 37.54 -95.92
REMARK 500 7 ARG A 11 -32.94 -137.21
REMARK 500 8 SEC A 2 58.70 -96.71
REMARK 500 8 TRP A 10 33.38 -95.35
REMARK 500 8 ARG A 11 -30.70 -133.87
REMARK 500 9 SEC A 2 53.03 -96.84
REMARK 500 9 SER A 4 31.44 -91.90
REMARK 500 9 TRP A 10 34.44 -90.67
REMARK 500 10 SEC A 2 57.99 -96.95
REMARK 500 10 TRP A 10 38.32 -95.77
REMARK 500 10 ARG A 11 -30.68 -139.22
REMARK 500 11 SEC A 2 57.37 -96.85
REMARK 500 11 TRP A 10 37.86 -95.80
REMARK 500 11 ARG A 11 -30.62 -138.28
REMARK 500 12 SEC A 2 49.60 -95.68
REMARK 500 13 SEC A 2 55.88 -96.84
REMARK 500 13 TRP A 10 33.47 -95.67
REMARK 500 13 ARG A 11 -32.63 -133.98
REMARK 500 14 SEC A 2 56.81 -96.68
REMARK 500 14 TRP A 10 32.36 -95.48
REMARK 500 14 ARG A 11 -30.63 -132.45
REMARK 500 15 SEC A 2 53.86 -96.21
REMARK 500 15 TRP A 10 38.16 -96.11
REMARK 500 15 ARG A 11 -31.27 -136.83
REMARK 500 16 SEC A 2 51.98 -96.40
REMARK 500 16 TRP A 10 38.56 -89.77
REMARK 500 16 ARG A 11 -9.24 -144.40
REMARK 500 17 SEC A 2 54.76 -96.91
REMARK 500 17 TRP A 10 36.90 -96.52
REMARK 500 17 ARG A 11 -23.88 -140.80
REMARK 500 18 SEC A 2 52.07 -96.40
REMARK 500 18 TRP A 10 36.91 -92.53
REMARK 500 18 ARG A 11 -6.73 -144.29
REMARK 500 19 SEC A 2 47.04 -95.22
REMARK 500 20 SEC A 2 50.67 -97.91
REMARK 500 20 SER A 4 30.33 -89.79
REMARK 500
REMARK 500 THIS ENTRY HAS 51 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2BC7 RELATED DB: PDB
REMARK 900 [SEC2,8]-IMI
DBREF 2BC8 A 1 12 UNP P50983 CXA1_CONIM 5 16
SEQRES 1 A 12 GLY SEC SEC SER ASP PRO ARG SEC ALA TRP ARG SEC
HELIX 1 1 ASP A 5 TRP A 10 1 6
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 - 22 20 Bytes