Header list of 2cr2.pdb file
Complete list - r 9 2 Bytes
HEADER IMMUNE SYSTEM 20-MAY-05 2CR2
TITLE SOLUTION STRUCTURE OF N-TERMINAL DOMAIN OF SPECKLE-TYPE POZ PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SPECKLE-TYPE POZ PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: MATH DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: SPOP;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040322-96;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS MATH DOMAIN, BETA SANDWICH, STRUCTURAL GENOMICS, NPPSFA, NATIONAL
KEYWDS 2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN
KEYWDS 3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, IMMUNE SYSTEM
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CR2 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CR2 1 VERSN
REVDAT 1 20-NOV-05 2CR2 0
JRNL AUTH T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF N-TERMINAL DOMAIN OF SPECKLE-TYPE POZ
JRNL TITL 2 PROTEIN
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 2.0.17
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CR2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024529.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.25MM MATH DOMAIN U-13C,15N;
REMARK 210 20MM TRISHCL, 100MM NACL, 1MM
REMARK 210 DTT, 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 900 MHZ; 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 0.901, 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 : TARGET FUNCTION,STRUCTURES WITH
REMARK 210 THE LOWEST 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: 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 6 -61.06 -104.67
REMARK 500 1 ASN A 20 49.54 73.14
REMARK 500 1 CYS A 24 106.49 -54.55
REMARK 500 1 ARG A 25 43.21 -90.42
REMARK 500 1 GLU A 27 -177.72 -64.07
REMARK 500 1 SER A 35 173.29 -51.61
REMARK 500 1 ALA A 41 178.49 -54.24
REMARK 500 1 ASN A 42 48.88 -78.63
REMARK 500 1 ASP A 43 150.56 -47.78
REMARK 500 1 SER A 76 -71.48 -46.32
REMARK 500 1 ASN A 88 179.41 -57.77
REMARK 500 1 GLN A 100 45.08 -91.39
REMARK 500 1 GLN A 107 95.32 -41.78
REMARK 500 1 SER A 147 38.80 35.12
REMARK 500 2 CYS A 24 103.21 -42.51
REMARK 500 2 GLU A 26 129.12 -39.51
REMARK 500 2 GLU A 30 165.48 -43.62
REMARK 500 2 ASN A 42 45.47 -93.81
REMARK 500 2 SER A 60 40.94 -98.73
REMARK 500 2 ASN A 88 -176.60 -60.26
REMARK 500 2 GLN A 107 97.44 -37.69
REMARK 500 2 ILE A 117 146.68 -170.96
REMARK 500 2 SER A 154 149.22 -175.11
REMARK 500 2 PRO A 156 -177.83 -69.71
REMARK 500 3 SER A 3 150.29 -49.15
REMARK 500 3 PHE A 21 -19.86 -47.38
REMARK 500 3 CYS A 24 91.32 -57.47
REMARK 500 3 ARG A 25 42.70 -107.50
REMARK 500 3 MET A 28 133.52 -37.94
REMARK 500 3 GLU A 30 133.36 -38.55
REMARK 500 3 SER A 35 170.16 -44.88
REMARK 500 3 ALA A 41 -53.70 -129.75
REMARK 500 3 ASN A 42 40.07 -82.32
REMARK 500 3 ASN A 88 -174.98 -57.66
REMARK 500 3 ASP A 124 150.52 -49.52
REMARK 500 3 PRO A 156 94.87 -69.77
REMARK 500 4 SER A 2 110.84 -35.47
REMARK 500 4 CYS A 24 98.11 -40.99
REMARK 500 4 GLU A 27 170.70 -49.56
REMARK 500 4 GLU A 30 167.56 -46.36
REMARK 500 4 SER A 35 -174.83 -52.86
REMARK 500 4 ALA A 41 154.21 -40.24
REMARK 500 4 ASN A 42 95.45 -41.19
REMARK 500 4 ASN A 88 -175.08 -58.97
REMARK 500 4 GLN A 107 99.36 -42.20
REMARK 500 4 ILE A 117 145.26 -174.62
REMARK 500 4 SER A 147 91.94 -66.71
REMARK 500 4 ASN A 149 41.38 38.42
REMARK 500 5 SER A 3 49.08 39.08
REMARK 500 5 SER A 5 110.16 -174.89
REMARK 500
REMARK 500 THIS ENTRY HAS 221 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSS001001155.1 RELATED DB: TARGETDB
DBREF 2CR2 A 8 153 UNP O43791 SPOP_HUMAN 28 173
SEQADV 2CR2 GLY A 1 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 2 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 3 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 GLY A 4 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 5 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 6 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 GLY A 7 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 154 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 GLY A 155 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 PRO A 156 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 157 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 SER A 158 UNP O43791 CLONING ARTIFACT
SEQADV 2CR2 GLY A 159 UNP O43791 CLONING ARTIFACT
SEQRES 1 A 159 GLY SER SER GLY SER SER GLY LYS VAL VAL LYS PHE SER
SEQRES 2 A 159 TYR MET TRP THR ILE ASN ASN PHE SER PHE CYS ARG GLU
SEQRES 3 A 159 GLU MET GLY GLU VAL ILE LYS SER SER THR PHE SER SER
SEQRES 4 A 159 GLY ALA ASN ASP LYS LEU LYS TRP CYS LEU ARG VAL ASN
SEQRES 5 A 159 PRO LYS GLY LEU ASP GLU GLU SER LYS ASP TYR LEU SER
SEQRES 6 A 159 LEU TYR LEU LEU LEU VAL SER CYS PRO LYS SER GLU VAL
SEQRES 7 A 159 ARG ALA LYS PHE LYS PHE SER ILE LEU ASN ALA LYS GLY
SEQRES 8 A 159 GLU GLU THR LYS ALA MET GLU SER GLN ARG ALA TYR ARG
SEQRES 9 A 159 PHE VAL GLN GLY LYS ASP TRP GLY PHE LYS LYS PHE ILE
SEQRES 10 A 159 ARG ARG ASP PHE LEU LEU ASP GLU ALA ASN GLY LEU LEU
SEQRES 11 A 159 PRO ASP ASP LYS LEU THR LEU PHE CYS GLU VAL SER VAL
SEQRES 12 A 159 VAL GLN ASP SER VAL ASN ILE SER GLY GLN SER GLY PRO
SEQRES 13 A 159 SER SER GLY
HELIX 1 1 PHE A 21 CYS A 24 5 4
HELIX 2 2 ARG A 118 LEU A 123 1 6
SHEET 1 A 4 VAL A 9 ASN A 19 0
SHEET 2 A 4 LYS A 134 VAL A 144 -1 O VAL A 143 N VAL A 10
SHEET 3 A 4 GLU A 77 LYS A 81 -1 N LYS A 81 O SER A 142
SHEET 4 A 4 TYR A 103 VAL A 106 -1 O PHE A 105 N VAL A 78
SHEET 1 B 4 ILE A 32 LYS A 33 0
SHEET 2 B 4 CYS A 48 VAL A 51 -1 O VAL A 51 N ILE A 32
SHEET 3 B 4 LEU A 66 LEU A 69 -1 O TYR A 67 N ARG A 50
SHEET 4 B 4 ASP A 110 PHE A 113 -1 O TRP A 111 N LEU A 68
SHEET 1 C 2 LYS A 83 LEU A 87 0
SHEET 2 C 2 GLU A 93 GLU A 98 -1 O MET A 97 N PHE A 84
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 9 2 Bytes