Header list of 1ywu.pdb file
Complete list - r 25 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-FEB-05 1YWU
TITLE SOLUTION NMR STRUCTURE OF PSEUDOMONAS AERUGINOSA PROTEIN PA4608.
TITLE 2 NORTHEAST STRUCTURAL GENOMICS TARGET PAT7
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA4608;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
SOURCE 3 ORGANISM_TAXID: 208964;
SOURCE 4 STRAIN: PAO1;
SOURCE 5 GENE: PA4608;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (LAMDA DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11
KEYWDS PA4608, PAT7, BETA BARREL, PILZ DOMAIN, STRUCTURAL GENOMICS, PSI,
KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS
KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.A.RAMELOT,A.A.YEE,J.R.CORT,A.SEMESI,C.H.ARROWSMITH,M.A.KENNEDY,
AUTHOR 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 8 13-JUL-11 1YWU 1 VERSN
REVDAT 7 24-FEB-09 1YWU 1 VERSN
REVDAT 6 01-MAY-07 1YWU 1 AUTHOR
REVDAT 5 16-JAN-07 1YWU 1 JRNL
REVDAT 4 16-JAN-07 1YWU 1 JRNL
REVDAT 3 20-SEP-06 1YWU 1 JRNL KEYWDS
REVDAT 2 28-JUN-05 1YWU 1 AUTHOR
REVDAT 1 29-MAR-05 1YWU 0
JRNL AUTH T.A.RAMELOT,A.YEE,J.R.CORT,A.SEMESI,C.H.ARROWSMITH,
JRNL AUTH 2 M.A.KENNEDY
JRNL TITL NMR STRUCTURE AND BINDING STUDIES CONFIRM THAT PA4608 FROM
JRNL TITL 2 PSEUDOMONAS AERUGINOSA IS A PILZ DOMAIN AND A C-DI-GMP
JRNL TITL 3 BINDING PROTEIN.
JRNL REF PROTEINS V. 66 266 2007
JRNL REFN ISSN 0887-3585
JRNL PMID 17096419
JRNL DOI 10.1002/PROT.21199
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : A. BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE 22 N-TERMINAL RESIDUES
REMARK 3 (MGSSHHHHHHSSGRENLYFQGH) AND 2 C-TERMINAL RESIDUES (GS) WERE NOT
REMARK 3 INCLUDED IN THE STRUCTURE CALCULATION
REMARK 4
REMARK 4 1YWU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-05.
REMARK 100 THE RCSB ID CODE IS RCSB032012.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.1
REMARK 210 IONIC STRENGTH : 250 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM PROTEIN, U-15N, 13C; 10 MM
REMARK 210 TRIS, 250 MM NACL, 10 MM DTT, 1
REMARK 210 MM BENZAMIDINE, 0.01% NAN3; 1 MM
REMARK 210 PROTEIN, U-15N, 13C; 10 MM TRIS,
REMARK 210 250 MM NACL, 10 MM DTT, 1 MM
REMARK 210 BENZAMIDINE, 0.01%; 1 MM PROTEIN,
REMARK 210 U-15N, 10%-13C; 10 MM TRIS, 250
REMARK 210 MM NACL, 10 MM DTT, 1 MM
REMARK 210 BENZAMIDINE, 0.01% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY; 4D_13C-
REMARK 210 SEPARATED_NOESY; 13C_HSQC; HNHA;
REMARK 210 H/D EXCHANGE
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE NMRPIPE.LINUX,
REMARK 210 AUTOSTRUCTURE 2.1.0, X-PLOR XPLOR
REMARK 210 -NIH-2.9.9, SPARKY 3.1
REMARK 210 METHOD USED : AUTOSTRUCTURE, SIMULATED
REMARK 210 ANNEALING, WATER REFINEMENT
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
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 MET A -21
REMARK 465 GLY A -20
REMARK 465 SER A -19
REMARK 465 SER A -18
REMARK 465 HIS A -17
REMARK 465 HIS A -16
REMARK 465 HIS A -15
REMARK 465 HIS A -14
REMARK 465 HIS A -13
REMARK 465 HIS A -12
REMARK 465 SER A -11
REMARK 465 SER A -10
REMARK 465 GLY A -9
REMARK 465 ARG A -8
REMARK 465 GLU A -7
REMARK 465 ASN A -6
REMARK 465 LEU A -5
REMARK 465 TYR A -4
REMARK 465 PHE A -3
REMARK 465 GLN A -2
REMARK 465 GLY A -1
REMARK 465 HIS A 0
REMARK 465 GLY A 126
REMARK 465 SER A 127
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 OD2 ASP A 35 HH12 ARG A 114 1.57
REMARK 500 HD21 LEU A 111 HH21 ARG A 114 1.58
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 HIS A 5 -29.52 -145.21
REMARK 500 1 PHE A 11 108.87 -51.38
REMARK 500 1 ALA A 15 103.94 -160.70
REMARK 500 1 TRP A 49 -111.99 -89.73
REMARK 500 1 ASN A 50 -65.71 -95.06
REMARK 500 1 ASP A 108 120.47 72.12
REMARK 500 1 ARG A 114 -162.67 -76.23
REMARK 500 2 ARG A 8 123.80 68.00
REMARK 500 2 ASP A 17 46.71 -80.19
REMARK 500 2 GLN A 24 77.28 -116.76
REMARK 500 2 PRO A 46 47.42 -77.59
REMARK 500 2 TRP A 49 145.55 70.48
REMARK 500 2 PRO A 53 41.19 -85.54
REMARK 500 2 ALA A 78 103.88 -162.48
REMARK 500 2 ASP A 80 -84.89 65.95
REMARK 500 2 HIS A 89 119.33 -160.66
REMARK 500 2 ASP A 108 117.59 -36.05
REMARK 500 3 ARG A 8 88.66 50.52
REMARK 500 3 ARG A 10 164.98 67.31
REMARK 500 3 HIS A 12 -94.16 -78.21
REMARK 500 3 ARG A 13 -155.28 -149.15
REMARK 500 3 ILE A 14 94.86 -65.85
REMARK 500 3 HIS A 34 -37.27 -131.00
REMARK 500 3 ASP A 35 111.20 -170.15
REMARK 500 3 PRO A 56 107.36 -58.98
REMARK 500 3 ASP A 80 -86.44 61.54
REMARK 500 3 ASP A 108 115.19 68.16
REMARK 500 4 GLU A 7 -142.65 -97.34
REMARK 500 4 ARG A 13 100.70 68.26
REMARK 500 4 ALA A 78 107.35 -162.27
REMARK 500 4 ASP A 80 -81.34 62.51
REMARK 500 5 GLN A 4 -57.65 -148.95
REMARK 500 5 HIS A 5 -122.33 53.24
REMARK 500 5 HIS A 34 -70.84 -127.49
REMARK 500 5 GLN A 45 -30.58 109.79
REMARK 500 5 TRP A 49 -79.71 -134.75
REMARK 500 5 ASN A 50 -67.67 -170.96
REMARK 500 5 ALA A 78 118.72 -162.03
REMARK 500 5 ASP A 80 -90.58 56.46
REMARK 500 5 ASP A 108 146.12 72.08
REMARK 500 5 ARG A 114 -92.92 -93.14
REMARK 500 6 GLN A 4 -45.92 72.19
REMARK 500 6 ARG A 9 -112.98 54.20
REMARK 500 6 HIS A 12 100.06 -164.09
REMARK 500 6 ARG A 13 -162.81 -76.25
REMARK 500 6 ALA A 15 98.77 178.71
REMARK 500 6 HIS A 34 -87.32 -133.73
REMARK 500 6 ASP A 80 -77.91 62.17
REMARK 500 6 ASP A 108 131.13 70.16
REMARK 500 6 ARG A 114 -97.13 -77.64
REMARK 500
REMARK 500 THIS ENTRY HAS 183 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: PAT7 RELATED DB: TARGETDB
DBREF 1YWU A 1 125 UNP Q9HVI1 Q9HVI1_PSEAE 1 125
SEQADV 1YWU MET A -21 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLY A -20 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU SER A -19 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU SER A -18 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -17 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -16 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -15 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -14 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -13 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A -12 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU SER A -11 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU SER A -10 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLY A -9 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU ARG A -8 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLU A -7 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU ASN A -6 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU LEU A -5 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU TYR A -4 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU PHE A -3 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLN A -2 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLY A -1 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU HIS A 0 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU GLY A 126 UNP Q9HVI1 CLONING ARTIFACT
SEQADV 1YWU SER A 127 UNP Q9HVI1 CLONING ARTIFACT
SEQRES 1 A 149 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 149 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET SER ASP GLN
SEQRES 3 A 149 HIS ASP GLU ARG ARG ARG PHE HIS ARG ILE ALA PHE ASP
SEQRES 4 A 149 ALA ASP SER GLU ILE LEU GLN GLY GLU ARG ARG TRP GLU
SEQRES 5 A 149 VAL LEU LEU HIS ASP VAL SER LEU HIS GLY ILE LEU VAL
SEQRES 6 A 149 GLY GLN PRO GLN ASP TRP ASN GLY ASP PRO GLN ARG PRO
SEQRES 7 A 149 PHE GLU ALA ARG LEU TYR LEU GLY LEU ASP VAL LEU ILE
SEQRES 8 A 149 ARG MET GLU ILE SER LEU ALA TRP ALA ARG ASP GLY LEU
SEQRES 9 A 149 LEU GLY PHE GLU CYS GLN HIS ILE ASP LEU ASP SER ILE
SEQRES 10 A 149 SER HIS LEU ARG ARG LEU VAL GLU LEU ASN LEU GLY ASP
SEQRES 11 A 149 GLU GLU LEU LEU GLU ARG GLU LEU ALA LEU LEU VAL SER
SEQRES 12 A 149 ALA HIS ASP ASP GLY SER
HELIX 1 1 ASP A 91 LEU A 106 1 16
HELIX 2 2 ASP A 108 ARG A 114 5 7
HELIX 3 3 GLU A 115 LEU A 119 5 5
SHEET 1 A 7 ASP A 19 GLN A 24 0
SHEET 2 A 7 ARG A 27 VAL A 36 -1 O VAL A 31 N SER A 20
SHEET 3 A 7 GLY A 40 GLY A 44 -1 O LEU A 42 N ASP A 35
SHEET 4 A 7 LEU A 82 ILE A 90 -1 O PHE A 85 N ILE A 41
SHEET 5 A 7 LEU A 68 ARG A 79 -1 N ARG A 79 O LEU A 82
SHEET 6 A 7 PRO A 56 TYR A 62 -1 N LEU A 61 O ILE A 69
SHEET 7 A 7 ASP A 19 GLN A 24 -1 N LEU A 23 O GLU A 58
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 25 2 Bytes