Header list of 1x4y.pdb file
Complete list - r 2 2 Bytes
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
Complete list - r 2 2 Bytes