Header list of 1mm0.pdb file
Complete list - 23 20 Bytes
HEADER ANTIMICROBIAL PROTEIN 02-SEP-02 1MM0
TITLE SOLUTION STRUCTURE OF TERMICIN, AN ANTIMICROBIAL PEPTIDE FROM THE
TITLE 2 TERMITE PSEUDACANTHOTERMES SPINIGER
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TERMICIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDACANTHOTERMES SPINIGER;
SOURCE 3 ORGANISM_TAXID: 115113;
SOURCE 4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;
SOURCE 5 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4932;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID
KEYWDS TERMITE, CYTEIN-RICH, ANTIMICROBIAL PEPTIDE, INSECT DEFENSIN, CSAB
KEYWDS 2 MOTIF, ANTIMICROBIAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.DA SILVA,L.JOUVENSAL,M.LAMBERTY,P.BULET,A.CAILLE,F.VOVELLE
REVDAT 3 23-FEB-22 1MM0 1 REMARK
REVDAT 2 24-FEB-09 1MM0 1 VERSN
REVDAT 1 13-MAY-03 1MM0 0
JRNL AUTH P.DA SILVA,L.JOUVENSAL,M.LAMBERTY,P.BULET,A.CAILLE,F.VOVELLE
JRNL TITL SOLUTION STRUCTURE OF TERMICIN, AN ANTIMICROBIAL PEPTIDE
JRNL TITL 2 FROM THE TERMITE PSEUDACANTHOTERMES SPINIGER
JRNL REF PROTEIN SCI. V. 12 438 2003
JRNL REFN ISSN 0961-8368
JRNL PMID 12592014
JRNL DOI 10.1110/PS.0228303
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1, CNS 1.1
REMARK 3 AUTHORS : BRUNGER ET AL (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 834 RESTRAINTS, 796 NOE-
REMARK 3 DERIVED
REMARK 3 DISTANCE CONSTRAINTS, 26 DIHEDRAL ANGLE RESTRAINTS, 12 DISTANCE
REMARK 3 RESTRAINTS
REMARK 3 FROM HYDROGEN BONDS.
REMARK 4
REMARK 4 1MM0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-SEP-02.
REMARK 100 THE DEPOSITION ID IS D_1000017007.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 3.9
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM TERMICIN; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
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 : XEASY 6001, ARIA 1.1
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST 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: 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 16 -133.46 -84.81
REMARK 500 1 ARG A 20 -76.47 -97.96
REMARK 500 1 ARG A 26 -86.43 65.10
REMARK 500 1 SER A 27 30.07 -151.01
REMARK 500 2 SER A 16 -136.40 -79.06
REMARK 500 2 ARG A 20 -75.54 -99.00
REMARK 500 2 ARG A 26 -87.87 62.92
REMARK 500 2 SER A 27 32.68 -150.42
REMARK 500 3 SER A 16 -130.01 -82.26
REMARK 500 3 ARG A 20 -75.56 -100.34
REMARK 500 3 ARG A 26 -95.18 64.03
REMARK 500 3 SER A 27 31.30 -150.54
REMARK 500 3 ARG A 35 50.71 -150.78
REMARK 500 4 SER A 16 -137.94 -78.04
REMARK 500 4 ARG A 20 -76.04 -99.65
REMARK 500 4 ARG A 26 -86.32 64.40
REMARK 500 4 SER A 27 32.85 -151.59
REMARK 500 4 ARG A 35 44.45 -150.07
REMARK 500 5 HIS A 15 50.65 -99.69
REMARK 500 5 ARG A 20 -81.34 -107.03
REMARK 500 5 ARG A 26 -84.68 65.76
REMARK 500 5 SER A 27 28.38 -150.41
REMARK 500 6 SER A 16 -132.85 -78.23
REMARK 500 6 ARG A 20 -74.11 -99.16
REMARK 500 6 ARG A 26 -84.59 65.25
REMARK 500 6 SER A 27 32.05 -150.36
REMARK 500 7 SER A 16 -120.38 -82.00
REMARK 500 7 ARG A 20 -71.69 -107.72
REMARK 500 7 ARG A 26 -93.11 65.09
REMARK 500 7 SER A 27 34.47 -150.64
REMARK 500 8 SER A 16 -120.53 -83.30
REMARK 500 8 ARG A 20 -71.97 -99.83
REMARK 500 8 ARG A 26 -84.72 64.78
REMARK 500 8 SER A 27 29.84 -150.59
REMARK 500 9 SER A 16 -134.98 -83.29
REMARK 500 9 ILE A 17 2.61 -69.31
REMARK 500 9 ARG A 20 -76.44 -99.74
REMARK 500 9 ARG A 26 -87.90 67.24
REMARK 500 9 SER A 27 27.34 -150.55
REMARK 500 10 SER A 16 -139.86 -81.71
REMARK 500 10 ARG A 20 -78.99 -99.03
REMARK 500 10 ARG A 26 -86.56 65.21
REMARK 500 10 SER A 27 29.66 -150.86
REMARK 500 11 SER A 16 -107.41 -89.24
REMARK 500 11 ARG A 20 -79.55 -98.91
REMARK 500 11 ARG A 26 -86.86 65.20
REMARK 500 11 SER A 27 30.89 -151.25
REMARK 500 12 SER A 16 -130.02 -77.48
REMARK 500 12 ARG A 20 -74.41 -99.00
REMARK 500 12 ARG A 26 -87.62 63.43
REMARK 500
REMARK 500 THIS ENTRY HAS 85 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1MM0 A 1 36 UNP P82321 TERN_PSEUS 1 36
SEQRES 1 A 36 ALA CYS ASN PHE GLN SER CYS TRP ALA THR CYS GLN ALA
SEQRES 2 A 36 GLN HIS SER ILE TYR PHE ARG ARG ALA PHE CYS ASP ARG
SEQRES 3 A 36 SER GLN CYS LYS CYS VAL PHE VAL ARG GLY
HELIX 1 1 ASN A 3 HIS A 15 1 13
SHEET 1 A 2 PHE A 19 ASP A 25 0
SHEET 2 A 2 GLN A 28 PHE A 33 -1 O LYS A 30 N PHE A 23
SSBOND 1 CYS A 2 CYS A 24 1555 1555 2.02
SSBOND 2 CYS A 7 CYS A 29 1555 1555 2.03
SSBOND 3 CYS A 11 CYS A 31 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 - 23 20 Bytes