Header list of 1uhw.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 11-JUL-03 1UHW
TITLE SOLUTION STRUCTURE OF THE DEP DOMAIN OF MOUSE PLECKSTRIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PLECKSTRIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DEP DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: RIKEN CDNA 1810074L23;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P011220-04;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS THREE-HELIX BUNDLE, BETA-ARM, PLECKSTRIN, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, STRUCTURAL GENOMICS, SIGNALING
KEYWDS 3 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.INOUE,M.YOSHIDA,R.HATTA,F.HAYASHI,M.SHIROUZU,T.TERADA,T.KIGAWA,
AUTHOR 2 M.INOUE,T.YABUKI,M.AOKI,E.SEKI,T.MATSUDA,H.HIROTA,A.TANAKA,T.OSANAI,
AUTHOR 3 Y.MATSUO,T.ARAKAWA,P.CARNINCI,J.KAWAI,Y.HAYASHIZAKI,S.YOKOYAMA,RIKEN
AUTHOR 4 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UHW 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UHW 1 VERSN
REVDAT 1 11-JAN-04 1UHW 0
JRNL AUTH K.INOUE,M.YOSHIDA,R.HATTA,F.HAYASHI,M.SHIROUZU,T.TERADA,
JRNL AUTH 2 T.KIGAWA,M.INOUE,T.YABUKI,M.AOKI,E.SEKI,T.MATSUDA,H.HIROTA,
JRNL AUTH 3 A.TANAKA,T.OSANAI,Y.MATSUO,T.ARAKAWA,P.CARNINCI,J.KAWAI,
JRNL AUTH 4 Y.HAYASHIZAKI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE DEP DOMAIN OF MOUSE PLECKSTRIN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 1.0.7
REMARK 3 AUTHORS : VARIAN (VNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UHW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-JUL-03.
REMARK 100 THE DEPOSITION ID IS D_1000005846.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 70MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.7MM DEP DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER KA; 50MM
REMARK 210 NACL; 4MM D10-DTT; 0.5% NAN3; 8%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
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 : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.816, CYANA 1.0.7
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 : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY, TARGET
REMARK 210 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: 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 O LEU A 8 H TYR A 12 1.48
REMARK 500 O GLY A 59 H SER A 63 1.49
REMARK 500 O THR A 39 H VAL A 43 1.50
REMARK 500 O LEU A 47 H LEU A 52 1.56
REMARK 500 H GLN A 73 O TYR A 100 1.56
REMARK 500 O ALA A 64 H SER A 68 1.57
REMARK 500 H LEU A 38 O TYR A 99 1.57
REMARK 500 O ASP A 45 H SER A 49 1.57
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 LYS A 29 112.76 -169.64
REMARK 500 1 ASP A 30 -69.66 72.49
REMARK 500 1 LYS A 31 55.64 -175.46
REMARK 500 1 LEU A 38 -150.87 -119.10
REMARK 500 1 LYS A 51 55.02 82.51
REMARK 500 1 GLU A 69 -39.65 -39.67
REMARK 500 1 LEU A 78 -77.15 65.26
REMARK 500 1 ILE A 86 -75.65 -67.50
REMARK 500 1 ALA A 87 -145.36 -137.29
REMARK 500 1 ASP A 103 -40.38 -176.75
REMARK 500 1 SER A 104 -77.65 -99.03
REMARK 500 2 SER A 2 92.11 61.43
REMARK 500 2 SER A 6 -54.47 -173.89
REMARK 500 2 LEU A 8 -52.35 -128.77
REMARK 500 2 ASP A 30 -70.47 69.42
REMARK 500 2 LYS A 31 38.15 -168.13
REMARK 500 2 LEU A 38 -150.02 -118.41
REMARK 500 2 LYS A 51 53.73 82.72
REMARK 500 2 ALA A 83 55.18 -92.81
REMARK 500 2 ASP A 84 -61.15 -137.46
REMARK 500 2 ALA A 87 -143.90 -152.95
REMARK 500 2 ASP A 93 68.10 -68.61
REMARK 500 2 ASP A 103 -39.44 -176.07
REMARK 500 2 SER A 104 -69.32 -100.36
REMARK 500 2 SER A 108 -54.07 79.66
REMARK 500 3 SER A 3 155.51 170.40
REMARK 500 3 SER A 5 159.92 60.97
REMARK 500 3 ASP A 30 -66.96 75.60
REMARK 500 3 LYS A 31 -50.59 -126.49
REMARK 500 3 ASN A 35 35.96 -94.58
REMARK 500 3 HIS A 36 47.53 -179.36
REMARK 500 3 LEU A 38 -148.64 -119.85
REMARK 500 3 LYS A 51 69.03 77.97
REMARK 500 3 ASP A 77 -51.85 -126.75
REMARK 500 3 ALA A 83 30.06 -97.37
REMARK 500 3 ASP A 84 -63.48 -92.63
REMARK 500 3 ILE A 86 -80.46 -60.91
REMARK 500 3 ALA A 87 -140.39 -133.93
REMARK 500 3 ASP A 93 63.99 -69.60
REMARK 500 3 ASP A 103 -42.19 176.77
REMARK 500 3 SER A 104 -72.17 -94.74
REMARK 500 3 SER A 107 -62.64 72.70
REMARK 500 4 SER A 2 132.23 -176.79
REMARK 500 4 SER A 5 121.50 -39.47
REMARK 500 4 LYS A 29 -65.92 -124.08
REMARK 500 4 LYS A 31 -52.51 80.59
REMARK 500 4 LEU A 38 -150.37 -127.52
REMARK 500 4 LYS A 51 68.18 81.04
REMARK 500 4 GLU A 69 -38.91 -39.04
REMARK 500 4 ASP A 77 -48.98 -148.88
REMARK 500
REMARK 500 THIS ENTRY HAS 296 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007020427.1 RELATED DB: TARGETDB
DBREF 1UHW A 8 103 UNP Q9JHK5 PLEK_MOUSE 126 221
SEQADV 1UHW GLY A 1 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 2 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 3 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW GLY A 4 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 5 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 6 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW GLY A 7 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 104 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW GLY A 105 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW PRO A 106 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 107 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW SER A 108 UNP Q9JHK5 CLONING ARTIFACT
SEQADV 1UHW GLY A 109 UNP Q9JHK5 CLONING ARTIFACT
SEQRES 1 A 109 GLY SER SER GLY SER SER GLY LEU GLY ALA LEU TYR LEU
SEQRES 2 A 109 SER MET LYS ASP PRO GLU LYS GLY ILE LYS GLU LEU ASN
SEQRES 3 A 109 LEU GLU LYS ASP LYS LYS VAL PHE ASN HIS CYS LEU THR
SEQRES 4 A 109 GLY SER GLY VAL ILE ASP TRP LEU VAL SER ASN LYS LEU
SEQRES 5 A 109 VAL ARG ASN ARG GLN GLU GLY LEU MET ILE SER ALA SER
SEQRES 6 A 109 LEU LEU SER GLU GLY TYR LEU GLN PRO ALA GLY ASP LEU
SEQRES 7 A 109 SER LYS ASN ALA ALA ASP GLY ILE ALA GLU ASN PRO PHE
SEQRES 8 A 109 LEU ASP SER PRO ASP ALA PHE TYR TYR PHE PRO ASP SER
SEQRES 9 A 109 GLY PRO SER SER GLY
HELIX 1 1 LEU A 8 LYS A 16 1 9
HELIX 2 2 GLY A 40 ASN A 50 1 11
HELIX 3 3 ARG A 56 GLU A 69 1 14
HELIX 4 4 LEU A 78 GLY A 85 1 8
SHEET 1 A 2 LEU A 25 GLU A 28 0
SHEET 2 A 2 VAL A 33 CYS A 37 -1 O PHE A 34 N LEU A 27
SHEET 1 B 2 GLN A 73 PRO A 74 0
SHEET 2 B 2 TYR A 99 TYR A 100 -1 O TYR A 100 N GLN A 73
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