Header list of 1x5a.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-MAY-05 1X5A TITLE THE SOLUTION STRUCTURE OF THE SECOND FIBRONECTIN TYPE III DOMAIN OF TITLE 2 MOUSE EPHRIN TYPE-A RECEPTOR 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: EPHRIN TYPE-A RECEPTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FIBRONECTIN TYPE-III DOMAIN; COMPND 5 SYNONYM: TYROSINE-PROTEIN KINASE RECEPTOR ESK; COMPND 6 EC: 2.7.1.112; COMPND 7 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: EPHA1; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040719-10; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS TYROSINE-PROTEIN KINASE RECEPTOR, ESK, FIBRONECTIN TYPE III (FN3) KEYWDS 2 DOMAIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN KEYWDS 3 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL KEYWDS 4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.TOCHIO,A.SASAGAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1X5A 1 REMARK SEQADV REVDAT 2 24-FEB-09 1X5A 1 VERSN REVDAT 1 15-NOV-05 1X5A 0 JRNL AUTH N.TOCHIO,A.SASAGAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL THE SOLUTION STRUCTURE OF THE SECOND FIBRONECTIN TYPE III JRNL TITL 2 DOMAIN OF MOUSE EPHRIN TYPE-A RECEPTOR 1 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 1X5A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1000024396. 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 : 1.2MM FN3 DOMAIN U-15N,13C; 20MM REMARK 210 D-TRIS HCL; 100MM NACL; 1MM D- REMARK 210 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 20031121, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.9295, 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 LEAST RESTRAINT 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 SER A 5 177.22 -57.56 REMARK 500 1 SER A 6 167.22 -44.48 REMARK 500 1 SER A 10 41.27 35.56 REMARK 500 1 LEU A 11 145.59 -38.83 REMARK 500 1 SER A 12 40.71 -84.66 REMARK 500 1 LEU A 16 139.22 -37.41 REMARK 500 1 PRO A 35 -175.69 -69.73 REMARK 500 1 ASN A 41 102.17 -37.20 REMARK 500 1 LEU A 42 179.80 -57.35 REMARK 500 1 PRO A 62 1.63 -69.73 REMARK 500 1 SER A 91 155.18 -40.49 REMARK 500 1 ASP A 93 109.79 -40.87 REMARK 500 1 SER A 102 112.46 -38.11 REMARK 500 2 LEU A 16 152.67 -42.88 REMARK 500 2 ASN A 41 38.61 -94.43 REMARK 500 2 PRO A 62 2.86 -69.78 REMARK 500 2 SER A 91 155.01 -40.12 REMARK 500 2 ASP A 93 116.03 -38.06 REMARK 500 2 PRO A 104 0.06 -69.77 REMARK 500 2 SER A 105 150.64 -35.23 REMARK 500 3 SER A 3 43.14 34.79 REMARK 500 3 SER A 5 -58.20 -130.65 REMARK 500 3 SER A 6 135.79 -36.01 REMARK 500 3 ALA A 8 86.22 -65.92 REMARK 500 3 SER A 33 109.28 -54.02 REMARK 500 3 PRO A 62 2.65 -69.75 REMARK 500 3 ASP A 93 119.37 -38.24 REMARK 500 4 PRO A 38 97.20 -69.82 REMARK 500 4 PRO A 62 1.29 -69.80 REMARK 500 4 SER A 91 155.08 -41.33 REMARK 500 5 SER A 3 46.94 35.80 REMARK 500 5 SER A 6 -44.80 -130.21 REMARK 500 5 SER A 12 35.52 39.98 REMARK 500 5 PRO A 62 3.19 -69.72 REMARK 500 5 SER A 91 153.01 -48.12 REMARK 500 5 SER A 102 -61.39 -122.36 REMARK 500 6 ALA A 8 42.87 -87.56 REMARK 500 6 LEU A 16 99.66 -64.96 REMARK 500 6 LEU A 26 118.99 -160.09 REMARK 500 6 ARG A 34 143.18 -37.08 REMARK 500 6 GLN A 51 -75.71 -40.27 REMARK 500 6 PRO A 62 3.41 -69.83 REMARK 500 6 SER A 106 127.86 -39.00 REMARK 500 7 GLU A 9 97.63 -64.73 REMARK 500 7 SER A 10 139.43 -173.61 REMARK 500 7 LEU A 16 103.22 -36.09 REMARK 500 7 ALA A 31 -54.13 -126.24 REMARK 500 7 ARG A 36 77.28 -100.04 REMARK 500 7 PRO A 62 3.04 -69.77 REMARK 500 7 SER A 91 155.78 -37.83 REMARK 500 REMARK 500 THIS ENTRY HAS 145 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT008000510.1 RELATED DB: TARGETDB DBREF 1X5A A 8 101 UNP Q60750 EPHA1_MOUSE 446 539 SEQADV 1X5A GLY A 1 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 2 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 3 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A GLY A 4 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 5 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 6 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A GLY A 7 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 102 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A GLY A 103 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A PRO A 104 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 105 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A SER A 106 UNP Q60750 CLONING ARTIFACT SEQADV 1X5A GLY A 107 UNP Q60750 CLONING ARTIFACT SEQRES 1 A 107 GLY SER SER GLY SER SER GLY ALA GLU SER LEU SER GLY SEQRES 2 A 107 LEU SER LEU LYS LEU VAL LYS LYS GLU PRO ARG GLN LEU SEQRES 3 A 107 GLU LEU THR TRP ALA GLY SER ARG PRO ARG ASN PRO GLY SEQRES 4 A 107 GLY ASN LEU SER TYR GLU LEU HIS VAL LEU ASN GLN ASP SEQRES 5 A 107 GLU GLU TRP HIS GLN MET VAL LEU GLU PRO ARG VAL LEU SEQRES 6 A 107 LEU THR LYS LEU GLN PRO ASP THR THR TYR ILE VAL ARG SEQRES 7 A 107 VAL ARG THR LEU THR PRO LEU GLY PRO GLY PRO PHE SER SEQRES 8 A 107 PRO ASP HIS GLU PHE ARG THR SER PRO PRO SER GLY PRO SEQRES 9 A 107 SER SER GLY SHEET 1 A 3 LEU A 18 GLU A 22 0 SHEET 2 A 3 GLN A 25 THR A 29 -1 O GLU A 27 N VAL A 19 SHEET 3 A 3 ARG A 63 THR A 67 -1 O LEU A 66 N LEU A 26 SHEET 1 B 4 GLU A 54 VAL A 59 0 SHEET 2 B 4 SER A 43 LEU A 49 -1 N LEU A 46 O GLN A 57 SHEET 3 B 4 THR A 74 LEU A 82 -1 O ARG A 80 N GLU A 45 SHEET 4 B 4 HIS A 94 ARG A 97 -1 O PHE A 96 N TYR A 75 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