Header list of 1zfu.pdb file
Complete list - 27 20 Bytes
HEADER ANTIMICROBIAL PROTEIN 20-APR-05 1ZFU
TITLE PLECTASIN:A PEPTIDE ANTIBIOTIC WITH THERAPEUTIC POTENTIAL FROM A
TITLE 2 SAPROPHYTIC FUNGUS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PLECTASIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 56-95;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOPLECTANIA NIGRELLA;
SOURCE 3 ORGANISM_TAXID: 96584;
SOURCE 4 EXPRESSION_SYSTEM: ASPERGILLUS ORYZAE;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 5062
KEYWDS DEFENSIN, ANTIMICROBIAL PEPTIDE, CYSTEINE STABILIZED ALPHA-BETA
KEYWDS 2 MOTIF, ANTIMICROBIAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR P.H.MYGIND,R.L.FISCHER,K.SCHNORR,M.T.HANSEN,C.P.SONKSEN,S.LUDVIGSEN,
AUTHOR 2 D.RAVENTOS,S.BUSKOV,B.CHRISTENSEN,L.DE MARIA,O.TABOUREAU,D.YAVER,
AUTHOR 3 S.G.ELVIG-JORGENSEN,M.V.SORENSEN,B.E.CHRISTENSEN,S.KJAERULF,
AUTHOR 4 N.FRIMODT-MOLLER,R.I.LEHRER,M.ZASLOFF,H.H.KRISTENSEN
REVDAT 3 27-OCT-21 1ZFU 1 REMARK
REVDAT 2 24-FEB-09 1ZFU 1 VERSN
REVDAT 1 18-OCT-05 1ZFU 0
JRNL AUTH P.H.MYGIND,R.L.FISCHER,K.M.SCHNORR,M.T.HANSEN,C.P.SONKSEN,
JRNL AUTH 2 S.LUDVIGSEN,D.RAVENTOS,S.BUSKOV,B.CHRISTENSEN,L.DE MARIA,
JRNL AUTH 3 O.TABOUREAU,D.YAVER,S.G.ELVIG-JORGENSEN,M.V.SORENSEN,
JRNL AUTH 4 B.E.CHRISTENSEN,S.KJAERULFF,N.FRIMODT-MOLLER,R.I.LEHRER,
JRNL AUTH 5 M.ZASLOFF,H.H.KRISTENSEN
JRNL TITL PLECTASIN IS A PEPTIDE ANTIBIOTIC WITH THERAPEUTIC POTENTIAL
JRNL TITL 2 FROM A SAPROPHYTIC FUNGUS.
JRNL REF NATURE V. 437 975 2005
JRNL REFN ISSN 0028-0836
JRNL PMID 16222292
JRNL DOI 10.1038/NATURE04051
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNX 2000.1
REMARK 3 AUTHORS : BRUNGER, ET. AL.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ZFU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-APR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032669.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 3.8
REMARK 210 IONIC STRENGTH : 30MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1 MM PLECTASIN
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; NOESY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CNX 2000.1, XWINNMR, PRONTO
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
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 CYS A 4 99.93 -176.04
REMARK 500 1 LYS A 26 -58.22 -137.31
REMARK 500 1 LYS A 32 70.05 60.90
REMARK 500 2 GLU A 10 149.78 -171.67
REMARK 500 2 SER A 21 37.25 -97.16
REMARK 500 2 LYS A 26 -55.77 -140.85
REMARK 500 2 LYS A 32 70.13 62.28
REMARK 500 3 SER A 21 38.20 -96.03
REMARK 500 3 TYR A 25 -177.57 55.41
REMARK 500 4 ASN A 5 36.58 -97.54
REMARK 500 4 ASP A 9 100.10 -160.16
REMARK 500 4 SER A 21 47.70 -91.71
REMARK 500 4 TYR A 29 -165.22 -167.86
REMARK 500 5 PHE A 2 38.54 71.85
REMARK 500 5 TYR A 25 177.21 -58.63
REMARK 500 5 LYS A 26 31.04 -153.08
REMARK 500 6 GLU A 10 118.37 -176.96
REMARK 500 6 CYS A 19 -71.18 -77.07
REMARK 500 6 LYS A 26 -56.27 -129.91
REMARK 500 7 LYS A 23 89.62 -43.29
REMARK 500 8 LYS A 23 88.81 -41.20
REMARK 500 8 TYR A 29 -166.03 -160.86
REMARK 500 10 GLU A 10 138.61 -178.15
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ZFU A 1 40 UNP Q53I06 Q53I06_9PEZI 56 95
SEQRES 1 A 40 GLY PHE GLY CYS ASN GLY PRO TRP ASP GLU ASP ASP MET
SEQRES 2 A 40 GLN CYS HIS ASN HIS CYS LYS SER ILE LYS GLY TYR LYS
SEQRES 3 A 40 GLY GLY TYR CYS ALA LYS GLY GLY PHE VAL CYS LYS CYS
SEQRES 4 A 40 TYR
HELIX 1 1 ASP A 12 ILE A 22 1 11
SHEET 1 A 2 GLY A 28 ALA A 31 0
SHEET 2 A 2 VAL A 36 CYS A 39 -1 O VAL A 36 N ALA A 31
SSBOND 1 CYS A 4 CYS A 30 1555 1555 2.03
SSBOND 2 CYS A 15 CYS A 37 1555 1555 2.03
SSBOND 3 CYS A 19 CYS A 39 1555 1555 2.03
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 - 27 20 Bytes