Header list of 1z6w.pdb file
Complete list - r 2 2 Bytes
HEADER ANTIMICROBIAL PROTEIN 23-MAR-05 1Z6W
TITLE HUMAN LACTOFERRICIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LACTOTRANSFERRIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL PEPTIDE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 OTHER_DETAILS: MILK
KEYWDS HELICAL, ANTIMICROBIAL PEPTIDE, AQUEOUS, ANTIMICROBIAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.N.HUNTER,A.R.DEMCOE,H.JENSSEN,T.J.GUTTEBERG,H.J.VOGEL
REVDAT 3 02-MAR-22 1Z6W 1 REMARK
REVDAT 2 24-FEB-09 1Z6W 1 VERSN
REVDAT 1 16-AUG-05 1Z6W 0
JRNL AUTH H.N.HUNTER,A.R.DEMCOE,H.JENSSEN,T.J.GUTTEBERG,H.J.VOGEL
JRNL TITL HUMAN LACTOFERRICIN IS PARTIALLY FOLDED IN AQUEOUS SOLUTION
JRNL TITL 2 AND IS BETTER STABILIZED IN A MEMBRANE MIMETIC SOLVENT
JRNL REF ANTIMICROB.AGENTS CHEMOTHER. V. 49 3387 2005
JRNL REFN ISSN 0066-4804
JRNL PMID 16048952
JRNL DOI 10.1128/AAC.49.8.3387-3395.2005
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.0, ARIA 1.2
REMARK 3 AUTHORS : BRUKER (XWINNMR), NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 750 NOE-DERIVED DISTANCE CONSTRAINTS AND 46 BROAD DIHEDRAL
REMARK 3 CONSTRAINTS.
REMARK 4
REMARK 4 1Z6W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032373.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : NO SALT ADDED
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM LACTOFERRICIN
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2.3, ARIA 1.2
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
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 ARG A 3 -76.23 -138.00
REMARK 500 1 VAL A 7 -157.27 -95.00
REMARK 500 1 CYS A 20 88.59 -46.60
REMARK 500 1 PHE A 21 -48.70 -142.95
REMARK 500 1 TRP A 23 -87.61 -141.75
REMARK 500 1 MET A 27 -73.08 -58.58
REMARK 500 1 LYS A 29 12.92 -147.40
REMARK 500 1 ARG A 31 -102.24 -63.44
REMARK 500 1 PRO A 33 157.11 -43.88
REMARK 500 1 PRO A 34 140.49 -36.82
REMARK 500 1 VAL A 35 -76.12 -145.71
REMARK 500 1 LYS A 39 59.11 -92.80
REMARK 500 1 ARG A 40 -43.62 -136.08
REMARK 500 1 GLN A 45 34.29 -90.11
REMARK 500 1 CYS A 46 -154.62 -73.57
REMARK 500 2 ARG A 5 -73.92 -122.89
REMARK 500 2 GLN A 8 40.61 -82.20
REMARK 500 2 CYS A 20 84.83 -45.95
REMARK 500 2 PHE A 21 -50.39 -132.96
REMARK 500 2 TRP A 23 -87.32 -144.12
REMARK 500 2 ARG A 28 -56.06 -140.31
REMARK 500 2 ARG A 31 -78.52 -83.71
REMARK 500 2 PRO A 33 157.96 -46.65
REMARK 500 2 PRO A 34 136.31 -38.22
REMARK 500 2 VAL A 35 -75.55 -146.42
REMARK 500 2 ARG A 40 -63.95 -120.73
REMARK 500 2 ASP A 41 109.36 -45.88
REMARK 500 2 ILE A 44 34.04 -81.47
REMARK 500 2 CYS A 46 -82.25 -61.46
REMARK 500 3 ALA A 11 1.38 -64.92
REMARK 500 3 GLU A 16 3.53 -168.64
REMARK 500 3 THR A 18 -32.92 -145.37
REMARK 500 3 CYS A 20 87.88 -44.32
REMARK 500 3 PHE A 21 -48.37 -139.01
REMARK 500 3 TRP A 23 -83.79 -145.72
REMARK 500 3 ARG A 28 -63.09 -141.62
REMARK 500 3 LYS A 29 31.77 -151.06
REMARK 500 3 ARG A 31 -155.73 -74.05
REMARK 500 3 VAL A 35 -56.69 -147.57
REMARK 500 3 PRO A 43 -161.42 -76.89
REMARK 500 3 CYS A 46 -85.47 -145.46
REMARK 500 3 GLN A 48 105.82 -55.29
REMARK 500 4 VAL A 7 -160.24 -121.31
REMARK 500 4 GLN A 8 50.27 -114.81
REMARK 500 4 GLU A 16 9.43 -172.40
REMARK 500 4 THR A 18 -39.35 -140.58
REMARK 500 4 CYS A 20 83.40 -49.60
REMARK 500 4 PHE A 21 -63.85 -146.23
REMARK 500 4 TRP A 23 -91.42 -141.36
REMARK 500 4 ARG A 25 -14.47 -44.80
REMARK 500
REMARK 500 THIS ENTRY HAS 321 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LFC RELATED DB: PDB
REMARK 900 SAME PROTEIN SOURCE BOVINE
REMARK 900 RELATED ID: 1Z6V RELATED DB: PDB
REMARK 900 SAME PROTEIN IN A MEMBRANE MIMETIC SOLVENT
DBREF 1Z6W A 1 49 UNP P02788 TRFL_HUMAN 20 68
SEQRES 1 A 49 GLY ARG ARG ARG ARG SER VAL GLN TRP CYS ALA VAL SER
SEQRES 2 A 49 GLN PRO GLU ALA THR LYS CYS PHE GLN TRP GLN ARG ASN
SEQRES 3 A 49 MET ARG LYS VAL ARG GLY PRO PRO VAL SER CYS ILE LYS
SEQRES 4 A 49 ARG ASP SER PRO ILE GLN CYS ILE GLN ALA
HELIX 1 1 TRP A 9 GLN A 14 5 6
SSBOND 1 CYS A 10 CYS A 46 1555 1555 2.03
SSBOND 2 CYS A 20 CYS A 37 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 - r 2 2 Bytes