Header list of 1wuz.pdb file
Complete list - r 2 2 Bytes
HEADER CELL ADHESION 09-DEC-04 1WUZ
TITLE STRUCTURE OF EC1 DOMAIN OF CNR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PCDHA4 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 1-103;
COMPND 5 SYNONYM: CNR-EC1;
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 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11
KEYWDS CADHERIN, CNR, HETERONUCLEAR NMR, PROTOCADHERIN, CELL ADHESION
EXPDTA SOLUTION NMR
NUMMDL 30
AUTHOR H.MORISHITA,M.UMITSU,T.YAMAGUCHI,Y.MURATA,N.SHIBATA,K.UDAKA,
AUTHOR 2 Y.HIGUCHI,H.AKUTSU,T.YAGI,T.IKEGAMI
REVDAT 3 02-MAR-22 1WUZ 1 REMARK
REVDAT 2 24-FEB-09 1WUZ 1 VERSN
REVDAT 1 13-DEC-05 1WUZ 0
JRNL AUTH H.MORISHITA,M.UMITSU,T.YAMAGUCHI,Y.MURATA,N.SHIBATA,K.UDAKA,
JRNL AUTH 2 Y.HIGUCHI,H.AKUTSU,T.YAGI,T.IKEGAMI
JRNL TITL STRUCTURAL DIVERSITY OF THE FIRST CADHERIN DOMAINS REVEALED
JRNL TITL 2 BY THE STRUCTURE OF CNR/PROTOCADHERIN ALPHA
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.2, CYANA 2.1
REMARK 3 AUTHORS : DELAGLIO, F. (NMRPIPE), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WUZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-DEC-04.
REMARK 100 THE DEPOSITION ID IS D_1000024031.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 8.0
REMARK 210 IONIC STRENGTH : 50MM TRIS-HCL BUFFER
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.1MM CNR-EC1, 50MM TRIS-HCL
REMARK 210 BUFFER AT PH8.0 CONTAINING 80MM
REMARK 210 NACL, 1.5MM CACL2, 0.02%(W/V)
REMARK 210 NAN3, 0.3MM PEFABLOC; 0.1MM CNR-
REMARK 210 EC1, 50MM TRIS-HCL BUFFER AT
REMARK 210 PH8.0 CONTAINING 80MM NACL,
REMARK 210 1.5MM CACL2, 0.02%(W/V) NAN3,
REMARK 210 0.3MM PEFABLOC
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 2D
REMARK 210 TOCSY; 2D NOESY; 15N-1H-HSQC; 3D_
REMARK 210 13C-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3.106, CYANA 2.1, TALOS
REMARK 210 2003.027.13.05
REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
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 GLU A 11 163.70 -48.06
REMARK 500 1 VAL A 19 -48.34 -130.81
REMARK 500 1 ARG A 21 99.95 -47.99
REMARK 500 1 ASP A 44 -78.93 -72.58
REMARK 500 1 SER A 62 -169.59 -160.92
REMARK 500 1 LEU A 69 -72.75 -48.68
REMARK 500 1 CYS A 70 -53.56 -162.23
REMARK 500 1 ARG A 72 -75.14 -50.54
REMARK 500 1 ARG A 86 85.62 68.55
REMARK 500 1 GLN A 89 -175.76 -173.64
REMARK 500 1 ASP A 99 -169.83 -179.79
REMARK 500 2 GLU A 11 161.56 -48.33
REMARK 500 2 VAL A 19 -45.05 -132.17
REMARK 500 2 ARG A 21 101.94 -48.38
REMARK 500 2 ASP A 44 -78.26 -106.92
REMARK 500 2 SER A 62 -169.50 -174.32
REMARK 500 2 LEU A 69 -72.07 -47.24
REMARK 500 2 CYS A 70 -53.53 -162.53
REMARK 500 2 ARG A 72 -74.34 -76.80
REMARK 500 2 ARG A 86 85.48 68.52
REMARK 500 2 ASP A 99 -172.71 -179.43
REMARK 500 3 GLU A 11 157.90 -48.52
REMARK 500 3 ARG A 21 102.37 -48.57
REMARK 500 3 ASP A 44 -76.95 -65.99
REMARK 500 3 ASN A 61 48.98 -148.52
REMARK 500 3 SER A 62 -170.19 -174.02
REMARK 500 3 LEU A 69 -71.96 -47.48
REMARK 500 3 CYS A 70 -53.97 -162.74
REMARK 500 3 ARG A 72 -74.67 -75.37
REMARK 500 3 ARG A 86 82.45 65.89
REMARK 500 3 GLN A 89 -174.07 -179.60
REMARK 500 3 ASP A 99 -170.75 -179.90
REMARK 500 4 ASN A 2 -46.21 -144.24
REMARK 500 4 GLU A 11 158.88 -49.12
REMARK 500 4 VAL A 19 -51.80 -129.01
REMARK 500 4 ARG A 21 102.84 -48.32
REMARK 500 4 ASP A 44 -75.53 -51.93
REMARK 500 4 ASN A 61 43.00 -144.40
REMARK 500 4 SER A 62 -169.88 -174.05
REMARK 500 4 LEU A 69 -72.79 -49.01
REMARK 500 4 CYS A 70 -53.27 -163.06
REMARK 500 4 ARG A 72 -74.72 -51.45
REMARK 500 4 SER A 73 109.41 -52.23
REMARK 500 4 ARG A 86 85.88 68.30
REMARK 500 4 ASP A 99 -169.64 179.59
REMARK 500 5 SER A 3 27.63 -143.91
REMARK 500 5 GLU A 11 159.24 -48.14
REMARK 500 5 ARG A 21 97.63 -48.46
REMARK 500 5 ASP A 44 -78.29 -61.63
REMARK 500 5 ASN A 55 17.76 -143.44
REMARK 500
REMARK 500 THIS ENTRY HAS 322 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1WUZ A 1 103 UNP Q6PAM9 Q6PAM9_MOUSE 27 129
SEQRES 1 A 103 GLY ASN SER GLN ILE HIS TYR SER ILE PRO GLU GLU ALA
SEQRES 2 A 103 LYS HIS GLY THR PHE VAL GLY ARG ILE ALA GLN ASP LEU
SEQRES 3 A 103 GLY LEU GLU LEU THR GLU LEU VAL PRO ARG LEU PHE ARG
SEQRES 4 A 103 VAL ALA SER LYS ASP ARG GLY ASP LEU LEU GLU VAL ASN
SEQRES 5 A 103 LEU GLN ASN GLY ILE LEU PHE VAL ASN SER ARG ILE ASP
SEQRES 6 A 103 ARG GLU GLU LEU CYS GLY ARG SER ALA GLU CYS SER ILE
SEQRES 7 A 103 HIS LEU GLU VAL ILE VAL ASP ARG PRO LEU GLN VAL PHE
SEQRES 8 A 103 HIS VAL GLU VAL GLU VAL ARG ASP ILE ASN ASP ASN
HELIX 1 1 ARG A 21 GLY A 27 1 7
HELIX 2 2 GLU A 29 VAL A 34 1 6
HELIX 3 3 ASP A 65 CYS A 70 1 6
SHEET 1 A 3 GLN A 4 PRO A 10 0
SHEET 2 A 3 GLN A 89 ARG A 98 1 O GLU A 94 N TYR A 7
SHEET 3 A 3 SER A 77 VAL A 84 -1 N LEU A 80 O VAL A 93
SHEET 1 B 2 LEU A 49 VAL A 51 0
SHEET 2 B 2 LEU A 58 VAL A 60 -1 O PHE A 59 N GLU A 50
SSBOND 1 CYS A 70 CYS A 76 1555 1555 2.11
CISPEP 1 ARG A 86 PRO A 87 1 0.01
CISPEP 2 ARG A 86 PRO A 87 2 -0.02
CISPEP 3 ARG A 86 PRO A 87 3 -0.01
CISPEP 4 ARG A 86 PRO A 87 4 -0.05
CISPEP 5 ARG A 86 PRO A 87 5 0.00
CISPEP 6 ARG A 86 PRO A 87 6 -0.01
CISPEP 7 ARG A 86 PRO A 87 7 0.01
CISPEP 8 ARG A 86 PRO A 87 8 -0.03
CISPEP 9 ARG A 86 PRO A 87 9 0.00
CISPEP 10 ARG A 86 PRO A 87 10 -0.01
CISPEP 11 ARG A 86 PRO A 87 11 -0.06
CISPEP 12 ARG A 86 PRO A 87 12 0.01
CISPEP 13 ARG A 86 PRO A 87 13 -0.03
CISPEP 14 ARG A 86 PRO A 87 14 0.02
CISPEP 15 ARG A 86 PRO A 87 15 -0.02
CISPEP 16 ARG A 86 PRO A 87 16 0.03
CISPEP 17 ARG A 86 PRO A 87 17 0.02
CISPEP 18 ARG A 86 PRO A 87 18 0.00
CISPEP 19 ARG A 86 PRO A 87 19 0.00
CISPEP 20 ARG A 86 PRO A 87 20 -0.01
CISPEP 21 ARG A 86 PRO A 87 21 -0.07
CISPEP 22 ARG A 86 PRO A 87 22 0.06
CISPEP 23 ARG A 86 PRO A 87 23 0.04
CISPEP 24 ARG A 86 PRO A 87 24 -0.04
CISPEP 25 ARG A 86 PRO A 87 25 0.06
CISPEP 26 ARG A 86 PRO A 87 26 0.04
CISPEP 27 ARG A 86 PRO A 87 27 -0.04
CISPEP 28 ARG A 86 PRO A 87 28 -0.04
CISPEP 29 ARG A 86 PRO A 87 29 0.08
CISPEP 30 ARG A 86 PRO A 87 30 0.01
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