Header list of 1ulo.pdb file
Complete list - 2 20 Bytes
HEADER CELLULOSE DEGRADATION 27-JUL-96 1ULO
TITLE N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI BETA-1,4-
TITLE 2 GLUCANASE C, NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ENDOGLUCANASE C;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL CELLULOSE-BINDING DOMAIN;
COMPND 5 SYNONYM: CENC, ENDO-1,4-BETA-GLUCANASE C;
COMPND 6 EC: 3.2.1.4;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI;
SOURCE 3 ORGANISM_TAXID: 1708;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: JM101;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PTUG
KEYWDS CELLULOSE DEGRADATION, CELLULOSE-BINDING DOMAIN, HYDROLASE
EXPDTA SOLUTION NMR
AUTHOR P.E.JOHNSON,L.P.MCINTOSH
REVDAT 4 02-MAR-22 1ULO 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1ULO 1 VERSN
REVDAT 2 01-APR-03 1ULO 1 JRNL
REVDAT 1 01-APR-97 1ULO 0
JRNL AUTH P.E.JOHNSON,M.D.JOSHI,P.TOMME,D.G.KILBURN,L.P.MCINTOSH
JRNL TITL STRUCTURE OF THE N-TERMINAL CELLULOSE-BINDING DOMAIN OF
JRNL TITL 2 CELLULOMONAS FIMI CENC DETERMINED BY NUCLEAR MAGNETIC
JRNL TITL 3 RESONANCE SPECTROSCOPY.
JRNL REF BIOCHEMISTRY V. 35 14381 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8916925
JRNL DOI 10.1021/BI961612S
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH P.E.JOHNSON,P.TOMME,M.D.JOSHI,L.P.MCINTOSH
REMARK 1 TITL INTERACTION OF SOLUBLE CELLOOLIGOSACCHARIDES WITH THE
REMARK 1 TITL 2 N-TERMINAL CELLULOSE-BINDING DOMAIN OF CELLULOMONAS FIMI
REMARK 1 TITL 3 CENC. 2. NMR AND ULTRAVIOLET ABSORPTION SPECTROSCOPY
REMARK 1 REF BIOCHEMISTRY V. 35 13895 1996
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.B.COUTINHO,N.R.GILKES,R.A.WARREN,D.G.KILBURN,
REMARK 1 AUTH 2 R.C.MILLER JUNIOR
REMARK 1 TITL THE BINDING OF CELLULOMONAS FIMI ENDOGLUCANASE C (CENC) TO
REMARK 1 TITL 2 CELLULOSE AND SEPHADEX IS MEDIATED BY THE N-TERMINAL REPEATS
REMARK 1 REF MOL.MICROBIOL. V. 6 1243 1992
REMARK 1 REFN ISSN 0950-382X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ULO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000176951.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 5.9
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE JOURNAL PUBLICATION
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, PIPP
REMARK 210 METHOD USED : XPLOR V3.1
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 PRO A 3 -156.68 -76.40
REMARK 500 GLU A 6 95.07 -42.08
REMARK 500 THR A 8 -141.92 -92.93
REMARK 500 ASP A 10 45.81 -84.35
REMARK 500 ASP A 11 44.08 161.67
REMARK 500 GLU A 14 -90.53 63.07
REMARK 500 THR A 21 -156.65 -148.28
REMARK 500 PRO A 24 -158.47 -74.26
REMARK 500 THR A 27 -83.58 -124.55
REMARK 500 SER A 28 54.12 35.51
REMARK 500 THR A 29 -34.37 -177.74
REMARK 500 SER A 40 56.69 25.32
REMARK 500 GLN A 42 -157.98 171.27
REMARK 500 GLU A 56 -154.43 36.75
REMARK 500 VAL A 74 -148.48 -91.19
REMARK 500 LEU A 77 -149.53 179.82
REMARK 500 ALA A 83 157.22 -49.46
REMARK 500 TYR A 85 153.26 61.30
REMARK 500 ASP A 90 80.28 -152.02
REMARK 500 ALA A 108 104.08 -57.11
REMARK 500 SER A 109 52.44 -92.16
REMARK 500 ALA A 110 -156.13 -158.91
REMARK 500 PRO A 121 -159.75 -73.72
REMARK 500 GLU A 122 -140.31 -154.46
REMARK 500 GLN A 124 -157.88 -150.35
REMARK 500 PHE A 132 -61.73 -145.61
REMARK 500 ALA A 134 -85.10 -94.85
REMARK 500 TRP A 137 -159.15 -141.99
REMARK 500 ASP A 142 46.34 171.04
REMARK 500 ASP A 143 70.20 169.69
REMARK 500 GLU A 149 94.27 -62.08
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1ULP RELATED DB: PDB
DBREF 1ULO A 1 152 UNP P14090 GUNC_CELFI 33 184
SEQADV 1ULO LEU A 139 UNP P14090 PHE 171 CONFLICT
SEQRES 1 A 152 ALA SER PRO ILE GLY GLU GLY THR PHE ASP ASP GLY PRO
SEQRES 2 A 152 GLU GLY TRP VAL ALA TYR GLY THR ASP GLY PRO LEU ASP
SEQRES 3 A 152 THR SER THR GLY ALA LEU CYS VAL ALA VAL PRO ALA GLY
SEQRES 4 A 152 SER ALA GLN TYR GLY VAL GLY VAL VAL LEU ASN GLY VAL
SEQRES 5 A 152 ALA ILE GLU GLU GLY THR THR TYR THR LEU ARG TYR THR
SEQRES 6 A 152 ALA THR ALA SER THR ASP VAL THR VAL ARG ALA LEU VAL
SEQRES 7 A 152 GLY GLN ASN GLY ALA PRO TYR GLY THR VAL LEU ASP THR
SEQRES 8 A 152 SER PRO ALA LEU THR SER GLU PRO ARG GLN VAL THR GLU
SEQRES 9 A 152 THR PHE THR ALA SER ALA THR TYR PRO ALA THR PRO ALA
SEQRES 10 A 152 ALA ASP ASP PRO GLU GLY GLN ILE ALA PHE GLN LEU GLY
SEQRES 11 A 152 GLY PHE SER ALA ASP ALA TRP THR LEU CYS LEU ASP ASP
SEQRES 12 A 152 VAL ALA LEU ASP SER GLU VAL GLU LEU
SHEET 1 A 5 VAL A 17 TYR A 19 0
SHEET 2 A 5 VAL A 45 ASN A 50 -1 O GLY A 46 N TYR A 19
SHEET 3 A 5 GLU A 122 LEU A 129 -1 O PHE A 127 N VAL A 47
SHEET 4 A 5 VAL A 72 ASN A 81 -1 O LEU A 77 N ALA A 126
SHEET 5 A 5 GLY A 86 THR A 96 -1 O THR A 91 N ALA A 76
SHEET 1 B 5 LEU A 25 THR A 27 0
SHEET 2 B 5 ALA A 31 VAL A 36 -1 O CYS A 33 N ASP A 26
SHEET 3 B 5 TRP A 137 SER A 148 -1 O LEU A 139 N VAL A 34
SHEET 4 B 5 THR A 58 ALA A 68 -1 O ARG A 63 N ALA A 145
SHEET 5 B 5 ARG A 100 ALA A 108 -1 O GLU A 104 N LEU A 62
SSBOND 1 CYS A 33 CYS A 140 1555 1555 2.02
CISPEP 1 ALA A 83 PRO A 84 0 -0.14
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
Complete list - 2 20 Bytes