Header list of 1ugl.pdb file
Complete list - r 2 2 Bytes
HEADER PLANT PROTEIN 16-JUN-03 1UGL
TITLE SOLUTION STRUCTURE OF S8-SP11
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: S-LOCUS POLLEN PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 1-50;
COMPND 5 SYNONYM: SP8-SP11;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN BRASSICA RAPA
KEYWDS MALE DETERMINANT OF SELF-INCOMPATIBILITY, DEFENSIN-LIKE, SP11, SCR,
KEYWDS 2 CYSTEINE-RICH, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,
KEYWDS 3 RSGI, STRUCTURAL GENOMICS, PLANT PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 30
AUTHOR M.MISHIMA,S.TAKAYAMA,K.SASAKI,J.G.JEE,C.KOJIMA,A.ISOGAI,M.SHIRAKAWA,
AUTHOR 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UGL 1 REMARK
REVDAT 2 24-FEB-09 1UGL 1 VERSN
REVDAT 1 30-SEP-03 1UGL 0
JRNL AUTH M.MISHIMA,S.TAKAYAMA,K.SASAKI,J.G.JEE,C.KOJIMA,A.ISOGAI,
JRNL AUTH 2 M.SHIRAKAWA
JRNL TITL STRUCTURE OF THE MALE DETERMINANT FACTOR FOR BRASSICA
JRNL TITL 2 SELF-INCOMPATIBILITY
JRNL REF J.BIOL.CHEM. V. 278 36389 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12835321
JRNL DOI 10.1074/JBC.M305305200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE
REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,
REMARK 3 SIMONSON,WARREN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UGL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-JUN-03.
REMARK 100 THE DEPOSITION ID IS D_1000005799.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 500MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.5MM S8-SP11; 50MM PHOSPHATE
REMARK 210 BUFFER, 50MM KCL; 0.5MM S8-SP11;
REMARK 210 50MM PHOSPHATE BUFFER, 50MM KCL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30
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: 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 LEU A 2 166.49 62.67
REMARK 500 1 MET A 3 88.60 57.16
REMARK 500 1 LYS A 4 -88.50 -101.33
REMARK 500 1 ARG A 5 32.17 -175.69
REMARK 500 1 THR A 7 161.13 58.19
REMARK 500 1 PHE A 10 90.61 62.29
REMARK 500 1 ARG A 11 53.78 -159.85
REMARK 500 1 LYS A 15 82.94 29.19
REMARK 500 1 THR A 34 -152.52 177.76
REMARK 500 1 SER A 38 -74.57 -99.89
REMARK 500 1 LYS A 39 43.34 -168.96
REMARK 500 1 SER A 44 -151.23 -154.32
REMARK 500 1 ASP A 46 36.58 -150.69
REMARK 500 1 SER A 49 90.91 -51.05
REMARK 500 2 LYS A 4 -166.66 -117.42
REMARK 500 2 THR A 7 157.25 58.70
REMARK 500 2 PHE A 10 91.69 63.44
REMARK 500 2 ARG A 11 50.60 -161.58
REMARK 500 2 LYS A 15 83.14 31.23
REMARK 500 2 THR A 34 -152.61 175.83
REMARK 500 2 SER A 38 -72.60 -101.63
REMARK 500 2 LYS A 39 43.51 -168.50
REMARK 500 2 SER A 44 -149.66 -153.99
REMARK 500 2 ASP A 46 39.39 -151.05
REMARK 500 2 SER A 49 93.98 -43.35
REMARK 500 3 LEU A 2 -80.08 -159.04
REMARK 500 3 ARG A 5 73.45 64.90
REMARK 500 3 THR A 7 168.87 58.61
REMARK 500 3 PHE A 10 91.51 64.03
REMARK 500 3 ARG A 11 51.43 -161.82
REMARK 500 3 LYS A 15 82.90 23.27
REMARK 500 3 THR A 34 -151.95 175.22
REMARK 500 3 SER A 38 -71.21 -103.65
REMARK 500 3 LYS A 39 40.87 -169.61
REMARK 500 3 SER A 44 -152.96 -153.63
REMARK 500 3 ASP A 46 49.63 -151.08
REMARK 500 3 SER A 49 89.10 -48.11
REMARK 500 4 MET A 3 -82.90 -123.39
REMARK 500 4 LYS A 4 -34.26 -135.21
REMARK 500 4 ARG A 5 77.26 56.63
REMARK 500 4 THR A 7 173.57 57.43
REMARK 500 4 PHE A 10 92.72 64.26
REMARK 500 4 ARG A 11 51.96 -162.02
REMARK 500 4 LYS A 15 84.16 30.31
REMARK 500 4 LYS A 25 -71.45 -81.15
REMARK 500 4 THR A 34 -146.23 178.21
REMARK 500 4 SER A 38 -87.59 -110.05
REMARK 500 4 LYS A 39 59.72 -170.85
REMARK 500 4 MET A 40 -85.66 -148.01
REMARK 500 4 ASN A 41 -33.42 -169.58
REMARK 500
REMARK 500 THIS ENTRY HAS 402 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: TRT001000363.1 RELATED DB: TARGETDB
DBREF 1UGL A 1 50 UNP Q9SE17 Q9SE17_BRACM 25 74
SEQRES 1 A 50 ASN LEU MET LYS ARG CYS THR ARG GLY PHE ARG LYS LEU
SEQRES 2 A 50 GLY LYS CYS THR THR LEU GLU GLU GLU LYS CYS LYS THR
SEQRES 3 A 50 LEU TYR PRO ARG GLY GLN CYS THR CYS SER ASP SER LYS
SEQRES 4 A 50 MET ASN THR HIS SER CYS ASP CYS LYS SER CYS
HELIX 1 1 THR A 17 TYR A 28 1 12
SHEET 1 A 2 LYS A 12 LEU A 13 0
SHEET 2 A 2 THR A 42 HIS A 43 -1 O HIS A 43 N LYS A 12
SSBOND 1 CYS A 6 CYS A 50 1555 1555 2.04
SSBOND 2 CYS A 16 CYS A 35 1555 1555 2.04
SSBOND 3 CYS A 24 CYS A 45 1555 1555 2.02
SSBOND 4 CYS A 33 CYS A 47 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