Header list of 1v5s.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSFERASE 25-NOV-03 1V5S
TITLE SOLUTION STRUCTURE OF KINASE ASSOCIATED DOMAIN 1 OF MOUSE
TITLE 2 MAP/MICROTUBULE AFFINITY-REGULATING KINASE 3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MAP/MICROTUBULE AFFINITY-REGULATING KINASE 3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: KINASE ASSOCIATED DOMAIN 1;
COMPND 5 EC: 2.7.1.27;
COMPND 6 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 1600015G02;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P020417-25;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS KA1 DOMAIN, ELKL MOTIF, MARK3, PHOSPHORYLATION, STRUCTURAL GENOMICS,
KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL
KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,
KEYWDS 4 TRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 4 02-MAR-22 1V5S 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1V5S 1 VERSN
REVDAT 2 29-AUG-06 1V5S 1 AUTHOR KEYWDS DBREF SEQADV
REVDAT 2 2 1 REMARK
REVDAT 1 25-MAY-04 1V5S 0
JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF KINASE ASSOCIATED DOMAIN 1 OF MOUSE
JRNL TITL 2 MAP/MICROTUBULE AFFINITY-REGULATING KINASE 3
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1V5S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000006241.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.0MM KA1 DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER NA; 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.853, CYANA 2.0.17
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, 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: 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 20 68.79 -105.90
REMARK 500 1 PRO A 25 -178.23 -69.75
REMARK 500 1 THR A 27 172.22 -53.44
REMARK 500 1 ASN A 53 41.75 -97.05
REMARK 500 1 ASN A 54 43.10 39.69
REMARK 500 1 ASP A 71 -60.37 -105.40
REMARK 500 1 ASN A 93 105.36 -36.70
REMARK 500 1 ASN A 109 -36.53 -36.75
REMARK 500 1 LYS A 119 34.95 36.13
REMARK 500 2 LEU A 5 43.86 -93.75
REMARK 500 2 ILE A 6 147.86 -38.29
REMARK 500 2 TYR A 22 -69.10 -128.41
REMARK 500 2 THR A 26 39.53 -92.16
REMARK 500 2 ASN A 53 39.30 -99.02
REMARK 500 2 PHE A 63 56.06 -106.98
REMARK 500 3 HIS A 4 117.54 -163.80
REMARK 500 3 GLU A 28 69.25 -103.48
REMARK 500 3 MET A 43 -35.67 -35.95
REMARK 500 3 GLU A 45 -36.09 -39.99
REMARK 500 3 ARG A 47 -39.24 -34.52
REMARK 500 3 ASN A 53 38.36 -94.48
REMARK 500 3 ASP A 71 -50.37 -131.57
REMARK 500 3 CYS A 85 175.82 -52.53
REMARK 500 3 LEU A 90 48.44 39.31
REMARK 500 3 LEU A 92 -175.03 -175.23
REMARK 500 3 SER A 121 -175.19 -55.32
REMARK 500 3 PRO A 123 95.83 -69.80
REMARK 500 3 SER A 124 151.42 -41.75
REMARK 500 4 HIS A 16 142.09 -35.14
REMARK 500 4 PRO A 25 -179.34 -69.70
REMARK 500 4 THR A 27 163.52 -48.38
REMARK 500 4 ASN A 53 36.21 -92.72
REMARK 500 4 SER A 91 31.37 37.01
REMARK 500 4 ASN A 93 173.38 -47.31
REMARK 500 4 LYS A 119 38.34 37.30
REMARK 500 4 PRO A 123 85.00 -69.76
REMARK 500 5 ASN A 8 123.23 -172.87
REMARK 500 5 HIS A 14 106.23 -162.91
REMARK 500 5 PRO A 25 -167.82 -69.73
REMARK 500 5 THR A 26 43.44 -98.80
REMARK 500 5 GLU A 28 42.66 -83.26
REMARK 500 5 ASN A 53 41.97 -95.49
REMARK 500 5 ASN A 54 42.03 39.05
REMARK 500 5 LEU A 87 159.12 -43.06
REMARK 500 5 LEU A 90 32.41 34.32
REMARK 500 6 LYS A 11 51.10 37.12
REMARK 500 6 TYR A 22 -62.57 -131.32
REMARK 500 6 ILE A 24 137.37 -38.19
REMARK 500 6 PRO A 25 -163.84 -69.77
REMARK 500 6 MET A 43 -34.25 -34.38
REMARK 500
REMARK 500 THIS ENTRY HAS 202 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1UL7 RELATED DB: PDB
REMARK 900 ANOTHER CONSTRUCT OF THE SAME PROTEIN.
REMARK 900 RELATED ID: MMT007019316.2 RELATED DB: TARGETDB
DBREF 1V5S A 41 120 UNP Q03141 MARK3_MOUSE 674 753
SEQADV 1V5S MET A 1 UNP Q03141 SEE REMARK 999
SEQADV 1V5S LYS A 2 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASP A 3 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 4 UNP Q03141 SEE REMARK 999
SEQADV 1V5S LEU A 5 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ILE A 6 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 7 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASN A 8 UNP Q03141 SEE REMARK 999
SEQADV 1V5S VAL A 9 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 10 UNP Q03141 SEE REMARK 999
SEQADV 1V5S LYS A 11 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLU A 12 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLU A 13 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 14 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ALA A 15 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 16 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ALA A 17 UNP Q03141 SEE REMARK 999
SEQADV 1V5S HIS A 18 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASN A 19 UNP Q03141 SEE REMARK 999
SEQADV 1V5S LYS A 20 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASP A 21 UNP Q03141 SEE REMARK 999
SEQADV 1V5S TYR A 22 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASP A 23 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ILE A 24 UNP Q03141 SEE REMARK 999
SEQADV 1V5S PRO A 25 UNP Q03141 SEE REMARK 999
SEQADV 1V5S THR A 26 UNP Q03141 SEE REMARK 999
SEQADV 1V5S THR A 27 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLU A 28 UNP Q03141 SEE REMARK 999
SEQADV 1V5S ASN A 29 UNP Q03141 SEE REMARK 999
SEQADV 1V5S LEU A 30 UNP Q03141 SEE REMARK 999
SEQADV 1V5S TYR A 31 UNP Q03141 SEE REMARK 999
SEQADV 1V5S PHE A 32 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLN A 33 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLY A 34 UNP Q03141 SEE REMARK 999
SEQADV 1V5S SER A 35 UNP Q03141 SEE REMARK 999
SEQADV 1V5S SER A 36 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLY A 37 UNP Q03141 SEE REMARK 999
SEQADV 1V5S SER A 38 UNP Q03141 SEE REMARK 999
SEQADV 1V5S SER A 39 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLY A 40 UNP Q03141 SEE REMARK 999
SEQADV 1V5S GLY A 51 UNP Q03141 ASP 684 CONFLICT
SEQADV 1V5S SER A 121 UNP Q03141 CLONING ARTIFACT
SEQADV 1V5S GLY A 122 UNP Q03141 CLONING ARTIFACT
SEQADV 1V5S PRO A 123 UNP Q03141 CLONING ARTIFACT
SEQADV 1V5S SER A 124 UNP Q03141 CLONING ARTIFACT
SEQADV 1V5S SER A 125 UNP Q03141 CLONING ARTIFACT
SEQADV 1V5S GLY A 126 UNP Q03141 CLONING ARTIFACT
SEQRES 1 A 126 MET LYS ASP HIS LEU ILE HIS ASN VAL HIS LYS GLU GLU
SEQRES 2 A 126 HIS ALA HIS ALA HIS ASN LYS ASP TYR ASP ILE PRO THR
SEQRES 3 A 126 THR GLU ASN LEU TYR PHE GLN GLY SER SER GLY SER SER
SEQRES 4 A 126 GLY ASP MET MET ARG GLU ILE ARG LYS VAL LEU GLY ALA
SEQRES 5 A 126 ASN ASN CYS ASP TYR GLU GLN ARG GLU ARG PHE LEU LEU
SEQRES 6 A 126 PHE CYS VAL HIS GLY ASP GLY HIS ALA GLU ASN LEU VAL
SEQRES 7 A 126 GLN TRP GLU MET GLU VAL CYS LYS LEU PRO ARG LEU SER
SEQRES 8 A 126 LEU ASN GLY VAL ARG PHE LYS ARG ILE SER GLY THR SER
SEQRES 9 A 126 ILE ALA PHE LYS ASN ILE ALA SER LYS ILE ALA ASN GLU
SEQRES 10 A 126 LEU LYS LEU SER GLY PRO SER SER GLY
HELIX 1 1 SER A 38 ASN A 53 1 16
HELIX 2 2 THR A 103 LEU A 118 1 16
SHEET 1 A 5 ASN A 29 LEU A 30 0
SHEET 2 A 5 ARG A 96 SER A 101 -1 O PHE A 97 N LEU A 30
SHEET 3 A 5 VAL A 78 GLU A 83 -1 N GLN A 79 O ILE A 100
SHEET 4 A 5 LEU A 64 HIS A 69 -1 N CYS A 67 O TRP A 80
SHEET 5 A 5 CYS A 55 GLU A 61 -1 N GLU A 61 O LEU A 64
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