Header list of 1m02.pdb file
Complete list - 23 20 Bytes
HEADER DE NOVO PROTEIN 11-JUN-02 1M02
TITLE NMR STRUCTURE OF PW2 BOUND TO SDS MICELLES: A TRYPTOPHAN-RICH
TITLE 2 ANTICOCIDIAL PEPTIDE SELECTED FROM PHAGE DISPLAY LIBRARIES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIS-PRO-LEU-LYS-GLN-TYR-TRP-TRP-ARG-PRO-SER-ILE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: PW2;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID PHASE SYNTHESIS
KEYWDS ANTICOCCIDIAL PEPTIDE, EIMERIA, SDS, MICELLE, ANTIMICROBIAL, PW2, DE
KEYWDS 2 NOVO PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 19
AUTHOR L.W.TINOCO,A.DA SILVA JR.,A.LEITE,A.P.VALENTE,F.C.ALMEIDA
REVDAT 4 23-FEB-22 1M02 1 REMARK
REVDAT 3 24-FEB-09 1M02 1 VERSN
REVDAT 2 25-JAN-05 1M02 1 JRNL
REVDAT 1 14-AUG-02 1M02 0
JRNL AUTH L.W.TINOCO,A.DA SILVA JR.,A.LEITE,A.P.VALENTE,F.C.ALMEIDA
JRNL TITL NMR STRUCTURE OF PW2 BOUND TO SDS MICELLES. A
JRNL TITL 2 TRYPTOPHAN-RICH ANTICOCCIDIAL PEPTIDE SELECTED FROM PHAGE
JRNL TITL 3 DISPLAY LIBRARIES
JRNL REF J.BIOL.CHEM. V. 277 36351 2002
JRNL REFN ISSN 0021-9258
JRNL PMID 12130641
JRNL DOI 10.1074/JBC.M204225200
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.DA SILVA JR.,U.KAWAZOE,F.F.FREITAS,M.S.GATTI,H.DOLDER,
REMARK 1 AUTH 2 R.I.SCHUMACHER,M.A.JULIANO,M.J.DA SILVA,A.LEITE
REMARK 1 TITL AVIAN ANTICOCCIDIAL ACTIVITY OF A NOVEL MEMBRANE-INTERACTIVE
REMARK 1 TITL 2 PEPTIDE SELECTED FROM PHAGE DISPLAY LIBRARIES
REMARK 1 REF MOL.BIOCHEM.PARASITOL. V. 120 53 2002
REMARK 1 REFN ISSN 0166-6851
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, CNS 1.1
REMARK 3 AUTHORS : DELAGLIO, F. GRZESIEK, S., ZHU, G., VUISTER, G.
REMARK 3 W., PFEIFER, J. AND BAX, A. (NMRPIPE), BRUNGER, A.
REMARK 3 T., ADAMS, P.D., CLORE, G.M., DELANO, W.L., GROS,
REMARK 3 P., GROSSE-KUNSTLEVE, R.W., JIANG, J. S.,
REMARK 3 KUSZEWSKI, J., NILGES, M., PANNU, N.S., READ, R.J.,
REMARK 3 RICE, L.M., SIMONSON, T., WARREN, G.L. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: CARTESIAN DYNAMICS
REMARK 4
REMARK 4 1M02 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUN-02.
REMARK 100 THE DEPOSITION ID IS D_1000016429.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 5.0
REMARK 210 IONIC STRENGTH : 100 MM SODIUM CHLORIDE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 4 MM PW2
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 400 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 4.1.2
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 19
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 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 TYR A 6 88.80 58.62
REMARK 500 1 TRP A 8 -99.74 -132.36
REMARK 500 2 TYR A 6 74.58 60.15
REMARK 500 2 TRP A 8 -95.52 -137.85
REMARK 500 3 PRO A 2 73.58 -69.43
REMARK 500 3 TYR A 6 88.25 63.93
REMARK 500 3 TRP A 7 -176.35 -65.60
REMARK 500 3 TRP A 8 -95.67 -175.88
REMARK 500 4 TRP A 8 -97.16 -149.69
REMARK 500 4 SER A 11 103.82 -164.67
REMARK 500 5 TYR A 6 84.92 60.87
REMARK 500 5 TRP A 8 -94.41 -176.95
REMARK 500 6 LEU A 3 15.78 -141.13
REMARK 500 6 TYR A 6 80.50 61.93
REMARK 500 6 TRP A 8 -94.51 -176.92
REMARK 500 6 SER A 11 96.72 50.78
REMARK 500 7 TYR A 6 83.29 62.21
REMARK 500 7 TRP A 7 -175.59 -68.77
REMARK 500 7 TRP A 8 -93.05 -141.39
REMARK 500 7 SER A 11 87.98 63.01
REMARK 500 8 GLN A 5 -29.08 179.84
REMARK 500 8 TYR A 6 82.90 66.98
REMARK 500 8 TRP A 8 -95.75 -139.29
REMARK 500 8 SER A 11 86.86 -60.48
REMARK 500 9 LYS A 4 -32.03 178.47
REMARK 500 9 TYR A 6 74.96 56.00
REMARK 500 9 TRP A 8 -97.23 -111.14
REMARK 500 9 PRO A 10 -164.44 -57.51
REMARK 500 9 SER A 11 31.16 -164.07
REMARK 500 10 TYR A 6 81.62 62.54
REMARK 500 10 TRP A 8 -95.58 -124.53
REMARK 500 11 TYR A 6 73.63 62.17
REMARK 500 11 TRP A 8 -98.26 -159.48
REMARK 500 11 SER A 11 32.05 -165.65
REMARK 500 12 TRP A 7 -167.13 42.21
REMARK 500 12 TRP A 8 -99.51 -170.43
REMARK 500 12 PRO A 10 -162.28 -70.09
REMARK 500 12 SER A 11 31.92 -164.84
REMARK 500 13 TRP A 7 -170.33 44.20
REMARK 500 13 TRP A 8 -96.70 -143.91
REMARK 500 14 TYR A 6 75.99 60.17
REMARK 500 14 TRP A 8 -96.61 -158.34
REMARK 500 15 TRP A 7 -169.05 43.37
REMARK 500 15 TRP A 8 -95.90 -150.30
REMARK 500 16 PRO A 2 159.99 -47.74
REMARK 500 16 TYR A 6 80.52 54.67
REMARK 500 16 TRP A 8 -97.84 -112.31
REMARK 500 17 TYR A 6 91.84 65.52
REMARK 500 17 TRP A 7 -177.88 -65.80
REMARK 500 17 TRP A 8 -98.12 -171.29
REMARK 500
REMARK 500 THIS ENTRY HAS 56 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1G89 RELATED DB: PDB
REMARK 900 INDOLICIDIN BOUND TO DODECYLPHOSPHOCHOLINE MICELLES
REMARK 900 RELATED ID: 1G8C RELATED DB: PDB
REMARK 900 INDOLICIDIN BOUND TO SODIUM DODECYL SULFATE MICELLES
REMARK 900 RELATED ID: 1HR1 RELATED DB: PDB
REMARK 900 INDOLICIDIN PEPTIDE DERIVATIVE WITH P-->A SUBSTITUTION
REMARK 900 RELATED ID: 1D6X RELATED DB: PDB
REMARK 900 TRITRPTICIN BOUND TO MICELLES-A DISTINCT MEMBRANE-BOUND PEPTIDE FOLD
DBREF 1M02 A 1 12 PDB 1M02 1M02 1 12
SEQRES 1 A 12 HIS PRO LEU LYS GLN TYR TRP TRP ARG PRO SER ILE
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 - 23 20 Bytes