Header list of 1x5f.pdb file
Complete list - r 2 2 Bytes
HEADER CELL ADHESION 15-MAY-05 1X5F
TITLE THE SOLUTION STRUCTURE OF THE FIRST FIBRONECTIN TYPE III DOMAIN OF
TITLE 2 HUMAN NEOGENIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NEOGENIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FN3 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: NEO1;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P041213-02;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS RGM BINDING, FIBRONECTIN TYPE III DOMAIN, STRUCTURAL GENOMICS,
KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL
KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,
KEYWDS 4 CELL ADHESION
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 1X5F 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X5F 1 VERSN
REVDAT 1 15-NOV-05 1X5F 0
JRNL AUTH N.TOCHIO,A.SASAGAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL THE SOLUTION STRUCTURE OF THE FIRST FIBRONECTIN TYPE III
JRNL TITL 2 DOMAIN OF HUMAN NEOGENIN
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 1X5F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024401.
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 : 1.9MM 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 3 167.79 -49.78
REMARK 500 1 ALA A 10 143.72 -38.18
REMARK 500 1 PRO A 18 -165.79 -69.75
REMARK 500 1 ALA A 20 154.97 -39.53
REMARK 500 1 SER A 70 -27.95 -39.15
REMARK 500 1 LYS A 97 -29.03 -39.31
REMARK 500 1 HIS A 98 -70.29 -74.91
REMARK 500 1 SER A 104 171.60 -48.77
REMARK 500 1 THR A 111 -179.39 -64.08
REMARK 500 1 PRO A 113 99.00 -69.76
REMARK 500 1 GLU A 114 160.59 -39.78
REMARK 500 1 SER A 118 104.59 -47.92
REMARK 500 2 PRO A 18 -178.28 -69.71
REMARK 500 2 THR A 57 136.66 -172.42
REMARK 500 2 GLU A 74 118.52 -37.66
REMARK 500 2 SER A 104 175.20 -49.40
REMARK 500 2 SER A 115 -61.11 -109.13
REMARK 500 3 ALA A 12 54.09 34.17
REMARK 500 3 PRO A 18 -168.40 -69.74
REMARK 500 3 ALA A 20 154.27 -40.56
REMARK 500 3 GLU A 59 -26.16 -39.08
REMARK 500 3 SER A 104 172.34 -49.61
REMARK 500 3 THR A 111 -177.30 -60.95
REMARK 500 3 PRO A 113 99.99 -69.79
REMARK 500 4 ALA A 10 139.92 -171.96
REMARK 500 4 PRO A 11 97.50 -69.81
REMARK 500 4 PRO A 18 -164.33 -69.76
REMARK 500 4 SER A 70 -35.27 -35.24
REMARK 500 4 SER A 104 177.14 -48.60
REMARK 500 5 GLU A 8 38.66 32.17
REMARK 500 5 HIS A 9 152.75 -37.18
REMARK 500 5 PRO A 18 -166.42 -69.78
REMARK 500 5 ALA A 20 154.06 -42.10
REMARK 500 5 SER A 70 -30.64 -36.97
REMARK 500 5 LYS A 97 -38.32 -34.51
REMARK 500 5 HIS A 98 -70.94 -68.96
REMARK 500 5 SER A 104 177.61 -48.43
REMARK 500 5 THR A 111 -178.31 -65.06
REMARK 500 5 PRO A 117 94.62 -69.79
REMARK 500 5 SER A 118 -67.95 -126.73
REMARK 500 5 SER A 119 122.26 -173.32
REMARK 500 6 PRO A 11 -178.98 -69.67
REMARK 500 6 PRO A 18 -164.42 -69.77
REMARK 500 6 ALA A 20 155.80 -42.18
REMARK 500 6 SER A 70 -28.07 -38.87
REMARK 500 6 HIS A 98 -70.64 -77.15
REMARK 500 6 SER A 104 173.26 -55.38
REMARK 500 7 PRO A 11 93.08 -69.78
REMARK 500 7 PRO A 18 -174.48 -69.71
REMARK 500 7 GLU A 59 108.05 -52.86
REMARK 500
REMARK 500 THIS ENTRY HAS 179 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO002001179.1 RELATED DB: TARGETDB
DBREF 1X5F A 8 114 UNP Q92859 NEO1_HUMAN 429 535
SEQADV 1X5F GLY A 1 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 2 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 3 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F GLY A 4 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 5 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 6 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F GLY A 7 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 115 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F GLY A 116 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F PRO A 117 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 118 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F SER A 119 UNP Q92859 CLONING ARTIFACT
SEQADV 1X5F GLY A 120 UNP Q92859 CLONING ARTIFACT
SEQRES 1 A 120 GLY SER SER GLY SER SER GLY GLU HIS ALA PRO ALA THR
SEQRES 2 A 120 THR GLY PRO LEU PRO SER ALA PRO ARG ASP VAL VAL ALA
SEQRES 3 A 120 SER LEU VAL SER THR ARG PHE ILE LYS LEU THR TRP ARG
SEQRES 4 A 120 THR PRO ALA SER ASP PRO HIS GLY ASP ASN LEU THR TYR
SEQRES 5 A 120 SER VAL PHE TYR THR LYS GLU GLY ILE ALA ARG GLU ARG
SEQRES 6 A 120 VAL GLU ASN THR SER HIS PRO GLY GLU MET GLN VAL THR
SEQRES 7 A 120 ILE GLN ASN LEU MET PRO ALA THR VAL TYR ILE PHE ARG
SEQRES 8 A 120 VAL MET ALA GLN ASN LYS HIS GLY SER GLY GLU SER SER
SEQRES 9 A 120 ALA PRO LEU ARG VAL GLU THR GLN PRO GLU SER GLY PRO
SEQRES 10 A 120 SER SER GLY
SHEET 1 A 3 ARG A 22 VAL A 29 0
SHEET 2 A 3 ILE A 34 ARG A 39 -1 O THR A 37 N VAL A 25
SHEET 3 A 3 GLN A 76 ILE A 79 -1 O VAL A 77 N LEU A 36
SHEET 1 B 4 ARG A 65 ASN A 68 0
SHEET 2 B 4 THR A 51 LYS A 58 -1 N TYR A 56 O ARG A 65
SHEET 3 B 4 VAL A 87 GLN A 95 -1 O MET A 93 N SER A 53
SHEET 4 B 4 SER A 100 SER A 103 -1 O GLY A 101 N ALA A 94
SHEET 1 C 4 ARG A 65 ASN A 68 0
SHEET 2 C 4 THR A 51 LYS A 58 -1 N TYR A 56 O ARG A 65
SHEET 3 C 4 VAL A 87 GLN A 95 -1 O MET A 93 N SER A 53
SHEET 4 C 4 LEU A 107 GLU A 110 -1 O LEU A 107 N PHE A 90
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