HEADER CELL ADHESION 15-MAY-05 1X4Y
TITLE SOLUTION STRUCTURE OF THE 3RD FIBRONECTIN TYPE III DOMAIN FROM MOUSE
TITLE 2 BIREGIONAL CELL ADHESION MOLECULE-RELATED/DOWN-REGULATED ONCOGENES
TITLE 3 (CDON) BINDING PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BIREGIONAL CELL ADHESION MOLECULE-RELATED/DOWN-REGULATED
COMPND 3 ONCOGENES (CDON)BINDING PROTEIN;
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: FIBRONECTIN TYPE III (FN3) DOMAIN;
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: BOC;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040719-12;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS FIBRONECTIN TYPE III, FN3, IMMUNOGLOBULIN-LIKE BETA-SANDWICH FOLD,
KEYWDS 2 CELL ADHESION, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON
KEYWDS 3 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 4 GENOMICS/PROTEOMICS INITIATIVE, RSGI
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1X4Y 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X4Y 1 VERSN
REVDAT 1 15-NOV-05 1X4Y 0
JRNL AUTH T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE 3RD FIBRONECTIN TYPE III DOMAIN
JRNL TITL 2 FROM MOUSE BIREGIONAL CELL ADHESION
JRNL TITL 3 MOLECULE-RELATED/DOWN-REGULATED ONCOGENES (CDON) BINDING
JRNL TITL 4 PROTEIN
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), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1X4Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024384.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.84MM FN3 DOMAIN U-15N, 13C;
REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM
REMARK 210 D-DTT; 0.02% NAN3; 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
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 20030801, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9295, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINTED MOLECULAR 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, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
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 ALA A 10 -39.60 -35.50
REMARK 500 1 SER A 35 41.54 -92.11
REMARK 500 1 ASN A 37 32.26 -97.34
REMARK 500 1 ASN A 38 44.86 37.53
REMARK 500 1 ARG A 49 143.10 -174.69
REMARK 500 1 SER A 53 175.18 -52.84
REMARK 500 1 TYR A 59 124.42 -35.30
REMARK 500 1 GLU A 65 142.14 -39.49
REMARK 500 1 GLU A 79 43.50 34.90
REMARK 500 1 GLU A 91 -39.96 -35.04
REMARK 500 1 SER A 98 -177.69 -51.72
REMARK 500 1 THR A 105 -177.03 -67.11
REMARK 500 2 ALA A 34 -71.87 -52.12
REMARK 500 2 SER A 35 38.58 -85.86
REMARK 500 2 ARG A 49 142.72 -175.04
REMARK 500 2 SER A 53 -175.24 -55.54
REMARK 500 2 GLU A 65 147.71 -39.60
REMARK 500 2 GLU A 79 39.88 33.92
REMARK 500 2 GLU A 91 -39.01 -38.31
REMARK 500 3 SER A 2 173.10 -50.68
REMARK 500 3 SER A 35 41.36 -89.74
REMARK 500 3 ASN A 37 30.46 -90.71
REMARK 500 3 ASN A 38 38.87 39.22
REMARK 500 3 ARG A 49 142.96 -173.44
REMARK 500 3 SER A 53 152.36 -41.88
REMARK 500 3 SER A 57 -19.25 -48.58
REMARK 500 3 TYR A 59 123.30 -39.17
REMARK 500 3 GLU A 79 33.81 34.09
REMARK 500 4 SER A 5 133.32 -172.00
REMARK 500 4 ALA A 34 -72.49 -50.38
REMARK 500 4 SER A 53 162.74 -41.02
REMARK 500 4 TYR A 59 123.16 -39.15
REMARK 500 4 GLU A 79 43.06 34.34
REMARK 500 4 SER A 98 -175.10 -59.18
REMARK 500 5 PHE A 16 118.17 -160.55
REMARK 500 5 SER A 35 44.18 38.57
REMARK 500 5 ASN A 38 33.79 39.92
REMARK 500 5 SER A 53 150.95 -34.84
REMARK 500 5 TYR A 59 120.15 -35.83
REMARK 500 5 GLU A 79 43.77 34.11
REMARK 500 5 SER A 98 178.94 -55.53
REMARK 500 5 THR A 105 -179.65 -60.97
REMARK 500 6 ALA A 10 -36.88 -39.33
REMARK 500 6 PHE A 16 119.05 -160.44
REMARK 500 6 SER A 35 39.37 -89.71
REMARK 500 6 ASN A 37 33.11 -91.55
REMARK 500 6 ASN A 38 41.37 37.06
REMARK 500 6 SER A 57 -19.91 -47.74
REMARK 500 6 GLU A 65 143.40 -39.11
REMARK 500 6 GLU A 79 39.26 34.32
REMARK 500
REMARK 500 THIS ENTRY HAS 186 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT008000800.2 RELATED DB: TARGETDB
DBREF 1X4Y A 8 108 UNP Q7TMJ3 Q7TMJ3_MOUSE 707 807
SEQADV 1X4Y GLY A 1 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 2 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 3 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y GLY A 4 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 5 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 6 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y GLY A 7 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 109 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y GLY A 110 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y PRO A 111 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 112 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y SER A 113 UNP Q7TMJ3 CLONING ARTIFACT
SEQADV 1X4Y GLY A 114 UNP Q7TMJ3 CLONING ARTIFACT
SEQRES 1 A 114 GLY SER SER GLY SER SER GLY PRO VAL ALA GLY PRO TYR
SEQRES 2 A 114 ILE THR PHE THR ASP ALA VAL ASN GLU THR THR ILE MET
SEQRES 3 A 114 LEU LYS TRP MET TYR ILE PRO ALA SER ASN ASN ASN THR
SEQRES 4 A 114 PRO ILE HIS GLY PHE TYR ILE TYR TYR ARG PRO THR ASP
SEQRES 5 A 114 SER ASP ASN ASP SER ASP TYR LYS LYS ASP MET VAL GLU
SEQRES 6 A 114 GLY ASP ARG TYR TRP HIS SER ILE SER HIS LEU GLN PRO
SEQRES 7 A 114 GLU THR SER TYR ASP ILE LYS MET GLN CYS PHE ASN GLU
SEQRES 8 A 114 GLY GLY GLU SER GLU PHE SER ASN VAL MET ILE CYS GLU
SEQRES 9 A 114 THR LYS ALA ARG SER GLY PRO SER SER GLY
HELIX 1 1 ASN A 55 TYR A 59 5 5
SHEET 1 A 3 TYR A 13 ASP A 18 0
SHEET 2 A 3 ILE A 25 MET A 30 -1 O MET A 26 N ASP A 18
SHEET 3 A 3 TRP A 70 ILE A 73 -1 O ILE A 73 N ILE A 25
SHEET 1 B 4 ASP A 62 GLU A 65 0
SHEET 2 B 4 GLY A 43 TYR A 48 -1 N ILE A 46 O ASP A 62
SHEET 3 B 4 SER A 81 PHE A 89 -1 O GLN A 87 N TYR A 45
SHEET 4 B 4 MET A 101 GLU A 104 -1 O MET A 101 N ILE 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
(ATOM LINES ARE NOT SHOWN.)
END
