Header list of 1ytr.pdb file
Complete list - 2 20 Bytes
HEADER ANTIBIOTIC 11-FEB-05 1YTR
TITLE NMR STRUCTURE OF PLANTARICIN A IN DPC MICELLES, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BACTERIOCIN PLANTARICIN A;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PEPTIDE IS NATURALLY FOUND IN LACTOBACILLUS PLANTARUM.
KEYWDS ANTIBIOTIC, PHEROMONE, AMPHIPATHIC HELIX, MICELLE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.E.KRISTIANSEN,G.FIMLAND,D.MANTZILAS,J.NISSEN-MEYER
REVDAT 4 02-MAR-22 1YTR 1 REMARK
REVDAT 3 24-FEB-09 1YTR 1 VERSN
REVDAT 2 21-JUN-05 1YTR 1 JRNL
REVDAT 1 17-MAY-05 1YTR 0
JRNL AUTH P.E.KRISTIANSEN,G.FIMLAND,D.MANTZILAS,J.NISSEN-MEYER
JRNL TITL STRUCTURE AND MODE OF ACTION OF THE MEMBRANE-PERMEABILIZING
JRNL TITL 2 ANTIMICROBIAL PEPTIDE PHEROMONE PLANTARICIN A
JRNL REF J.BIOL.CHEM. V. 280 22945 2005
JRNL REFN ISSN 0021-9258
JRNL PMID 15805109
JRNL DOI 10.1074/JBC.M501620200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.1
REMARK 3 AUTHORS : GUNTERT P
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YTR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-FEB-05.
REMARK 100 THE DEPOSITION ID IS D_1000031915.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 4
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.9MM PLNA IN 100MM DPC, 10%
REMARK 210 D2O, 90% H20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQCOSY; 1H-15N
REMARK 210 HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CYANA, TALOS SIMULATED ANNEALING
REMARK 210 ANNEALING
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 20
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 SER A 2 -58.51 -141.32
REMARK 500 1 ALA A 4 122.49 62.06
REMARK 500 1 GLN A 8 -164.34 72.19
REMARK 500 1 MET A 9 -40.26 -175.38
REMARK 500 1 ALA A 11 -99.11 -167.91
REMARK 500 2 ALA A 4 136.92 179.92
REMARK 500 2 TYR A 5 56.60 -159.32
REMARK 500 2 SER A 6 -40.77 87.65
REMARK 500 2 LEU A 7 105.05 -53.11
REMARK 500 2 GLN A 8 -40.48 -170.98
REMARK 500 2 ALA A 11 -62.93 -165.04
REMARK 500 3 SER A 2 104.43 -178.74
REMARK 500 3 ALA A 4 89.60 -174.49
REMARK 500 3 TYR A 5 57.09 -106.94
REMARK 500 3 SER A 6 173.34 58.10
REMARK 500 3 GLN A 8 116.42 63.40
REMARK 500 3 ALA A 11 -70.98 -174.81
REMARK 500 4 SER A 2 117.61 68.43
REMARK 500 4 ALA A 4 171.46 -51.84
REMARK 500 4 SER A 6 -28.47 161.50
REMARK 500 4 LEU A 7 -62.34 -162.93
REMARK 500 4 GLN A 8 136.61 85.76
REMARK 500 4 ALA A 11 -53.72 -173.38
REMARK 500 5 SER A 2 80.84 40.91
REMARK 500 5 ALA A 4 -63.80 -157.21
REMARK 500 5 TYR A 5 81.68 39.06
REMARK 500 5 SER A 6 162.44 59.75
REMARK 500 5 MET A 9 -50.94 -163.46
REMARK 500 5 ALA A 11 -72.52 -174.08
REMARK 500 5 TRP A 24 -71.51 -72.00
REMARK 500 6 SER A 3 -63.01 69.39
REMARK 500 6 LEU A 7 -106.03 -57.81
REMARK 500 6 MET A 9 -46.38 -145.05
REMARK 500 6 ALA A 11 -75.89 166.93
REMARK 500 7 SER A 3 92.02 -160.33
REMARK 500 7 LEU A 7 -47.53 -139.15
REMARK 500 7 ALA A 11 -60.09 -157.42
REMARK 500 8 SER A 2 89.48 -163.63
REMARK 500 8 SER A 3 -68.45 68.30
REMARK 500 8 ALA A 4 -144.64 42.84
REMARK 500 8 SER A 6 153.01 64.61
REMARK 500 8 LEU A 7 -55.98 -126.45
REMARK 500 8 MET A 9 -37.09 179.96
REMARK 500 8 ALA A 11 -66.14 -172.85
REMARK 500 8 TRP A 24 -75.36 -70.63
REMARK 500 9 TYR A 5 54.60 -148.05
REMARK 500 9 GLN A 8 116.38 -166.44
REMARK 500 9 MET A 9 -55.94 -149.87
REMARK 500 9 ALA A 11 -78.68 -151.05
REMARK 500 10 SER A 2 -60.39 69.86
REMARK 500
REMARK 500 THIS ENTRY HAS 107 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1YTR A 1 26 UNP P80214 PLNA_LACPL 23 48
SEQRES 1 A 26 LYS SER SER ALA TYR SER LEU GLN MET GLY ALA THR ALA
SEQRES 2 A 26 ILE LYS GLN VAL LYS LYS LEU PHE LYS LYS TRP GLY TRP
HELIX 1 1 ALA A 11 LYS A 22 1 12
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 - 2 20 Bytes