Header list of 1y6u.pdb file
Complete list - r 2 2 Bytes
HEADER DNA BINDING PROTEIN 07-DEC-04 1Y6U
TITLE THE STRUCTURE OF THE EXCISIONASE (XIS) PROTEIN FROM CONJUGATIVE
TITLE 2 TRANSPOSON TN916 PROVIDES INSIGHTS INTO THE REGULATION OF
TITLE 3 HETEROBIVALENT TYROSINE RECOMBINASES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EXCISIONASE FROM TRANSPOSON TN916;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: XIS;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS;
SOURCE 3 ORGANISM_TAXID: 1351;
SOURCE 4 GENE: XIS;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: RJ3386 (BL21-DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PTYB12
KEYWDS DNA ARCHITECTURAL PROTEIN, TYROSINE RECOMBINASE, EXCISIONASE, WINGED-
KEYWDS 2 HELIX PROTEIN, CONJUGATIVE TRANSPOSON, DNA BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR M.ABBANI,M.IWAHARA,R.T.CLUBB
REVDAT 3 02-MAR-22 1Y6U 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1Y6U 1 VERSN
REVDAT 1 15-MAR-05 1Y6U 0
JRNL AUTH M.ABBANI,M.IWAHARA,R.T.CLUBB
JRNL TITL THE STRUCTURE OF THE EXCISIONASE (XIS) PROTEIN FROM
JRNL TITL 2 CONJUGATIVE TRANSPOSON TN916 PROVIDES INSIGHTS INTO THE
JRNL TITL 3 REGULATION OF HETEROBIVALENT TYROSINE RECOMBINASES
JRNL REF J.MOL.BIOL. V. 347 11 2005
JRNL REFN ISSN 0022-2836
JRNL PMID 15733914
JRNL DOI 10.1016/J.JMB.2005.01.019
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, XPLOR-NIH
REMARK 3 AUTHORS : C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE
REMARK 3 (XPLOR-NIH)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1Y6U COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-DEC-04.
REMARK 100 THE DEPOSITION ID IS D_1000031189.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 4.5
REMARK 210 IONIC STRENGTH : 60 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM 15N/13C LABELED XIS, 30 MM
REMARK 210 NAOAC, 60 MM NACL, 93% H2O, 7%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 4D_13C/15N-
REMARK 210 SEPARATED_NOESY; HNCA-J; HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1, NMRPIPE SGI6X, PIPP
REMARK 210 4.3.5
REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY AND
REMARK 210 SIMULATED ANNEALING CALCULATIONS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-20
REMARK 465 RES C SSSEQI
REMARK 465 ALA A -2
REMARK 465 GLY A -1
REMARK 465 HIS A 0
REMARK 465 MET A 1
REMARK 465 LYS A 2
REMARK 465 GLN A 3
REMARK 465 THR A 4
REMARK 465 ASP A 5
REMARK 465 ASP A 65
REMARK 465 ALA A 66
REMARK 465 ILE A 67
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O LEU A 14 H ILE A 52 1.38
REMARK 500 H LEU A 14 O ILE A 52 1.55
REMARK 500 O LEU A 33 H ASN A 37 1.56
REMARK 500 O ASN A 37 H ALA A 40 1.60
REMARK 500
REMARK 500 REMARK: NULL
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 ARG A 24 85.73 -42.75
REMARK 500 1 ASN A 37 60.22 -103.13
REMARK 500 1 ASN A 48 -29.07 -151.76
REMARK 500 1 GLU A 58 -30.23 -39.89
REMARK 500 1 ILE A 60 30.72 -95.94
REMARK 500 2 ARG A 24 86.03 -42.55
REMARK 500 2 ASN A 37 50.65 -99.54
REMARK 500 2 ASN A 48 -31.88 -152.08
REMARK 500 3 PRO A 7 109.84 -46.81
REMARK 500 3 ILE A 8 -41.31 -29.02
REMARK 500 3 ARG A 24 83.06 -45.88
REMARK 500 3 ASN A 37 64.96 -100.77
REMARK 500 3 ASN A 48 -14.92 -149.97
REMARK 500 3 ILE A 60 33.39 -96.36
REMARK 500 4 ARG A 24 87.67 -42.19
REMARK 500 4 LYS A 38 -19.28 -46.28
REMARK 500 4 ASN A 46 76.74 -153.32
REMARK 500 5 ILE A 8 -25.00 -36.00
REMARK 500 5 ARG A 24 86.02 -45.62
REMARK 500 5 ASN A 46 75.35 -150.18
REMARK 500 5 GLU A 58 -31.54 -39.32
REMARK 500 6 ARG A 24 78.69 -52.63
REMARK 500 6 ASN A 37 48.38 -99.49
REMARK 500 6 ASN A 48 11.12 -149.99
REMARK 500 6 LYS A 55 -66.00 -92.09
REMARK 500 7 ILE A 8 -22.88 -37.58
REMARK 500 7 ARG A 24 83.01 -53.01
REMARK 500 7 ASN A 37 61.34 -115.94
REMARK 500 7 LYS A 38 -16.27 -45.86
REMARK 500 7 ASN A 46 77.91 -106.47
REMARK 500 7 ASN A 48 -13.81 -149.96
REMARK 500 7 GLN A 56 -70.93 -54.81
REMARK 500 8 ARG A 24 87.28 -48.75
REMARK 500 8 ASN A 48 9.79 -150.87
REMARK 500 8 LYS A 55 -65.66 -91.86
REMARK 500 9 ARG A 24 86.75 -40.05
REMARK 500 9 ASN A 37 50.37 -98.39
REMARK 500 9 ASN A 46 75.48 -110.86
REMARK 500 9 ASN A 48 12.67 -149.50
REMARK 500 10 ILE A 8 -12.68 -48.40
REMARK 500 10 ARG A 24 86.81 -41.62
REMARK 500 10 ASN A 48 -8.97 -148.87
REMARK 500 11 ILE A 8 -39.46 -37.60
REMARK 500 11 ARG A 24 85.84 -41.28
REMARK 500 11 GLU A 35 -15.11 -47.71
REMARK 500 11 LYS A 38 -14.70 -48.02
REMARK 500 11 ASN A 48 -24.73 -150.19
REMARK 500 12 ILE A 8 -30.58 -37.86
REMARK 500 12 ARG A 24 87.75 -49.77
REMARK 500 12 ASN A 37 66.31 -103.88
REMARK 500
REMARK 500 THIS ENTRY HAS 91 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1Y6U A 1 67 UNP Q79DA1 Q79DA1_ENTFA 1 67
SEQADV 1Y6U ALA A -2 UNP Q79DA1 CLONING ARTIFACT
SEQADV 1Y6U GLY A -1 UNP Q79DA1 CLONING ARTIFACT
SEQADV 1Y6U HIS A 0 UNP Q79DA1 CLONING ARTIFACT
SEQRES 1 A 70 ALA GLY HIS MET LYS GLN THR ASP ILE PRO ILE TRP GLU
SEQRES 2 A 70 ARG TYR THR LEU THR ILE GLU GLU ALA SER LYS TYR PHE
SEQRES 3 A 70 ARG ILE GLY GLU ASN LYS LEU ARG ARG LEU ALA GLU GLU
SEQRES 4 A 70 ASN LYS ASN ALA ASN TRP LEU ILE MET ASN GLY ASN ARG
SEQRES 5 A 70 ILE GLN ILE LYS ARG LYS GLN PHE GLU LYS ILE ILE ASP
SEQRES 6 A 70 THR LEU ASP ALA ILE
HELIX 1 1 ILE A 16 PHE A 23 1 8
HELIX 2 2 GLY A 26 ASN A 37 1 12
HELIX 3 3 ARG A 54 ILE A 60 1 7
SHEET 1 A 3 THR A 13 THR A 15 0
SHEET 2 A 3 ARG A 49 LYS A 53 -1 O ILE A 52 N LEU A 14
SHEET 3 A 3 LEU A 43 ASN A 46 -1 N ASN A 46 O ARG A 49
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