Header list of 1rzw.pdb file
Complete list - 2 20 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-DEC-03 1RZW
TITLE THE SOLUTION STRUCTURE OF THE ARCHAEGLOBUS FULGIDIS PROTEIN AF2095.
TITLE 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET GR4
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN AF2095(GR4);
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS;
SOURCE 3 ORGANISM_TAXID: 2234;
SOURCE 4 GENE: AF2095;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21
KEYWDS BETA-SHEET OF 4 PARALLEL, ANTI-PARALLEL BETA-STRANDS AND 3 ALPHA-
KEYWDS 2 HELICES, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE,
KEYWDS 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
AUTHOR R.POWERS,T.B.ACTON,Y.J.HUANG,J.LIU,L.MA,B.ROST,Y.CHIANG,J.R.CORT,
AUTHOR 2 M.A.KENNEDY,G.T.MONTELIONE,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM
AUTHOR 3 (NESG)
REVDAT 6 02-MAR-22 1RZW 1 REMARK SEQADV
REVDAT 5 24-FEB-09 1RZW 1 VERSN
REVDAT 4 01-NOV-05 1RZW 1 JRNL
REVDAT 3 17-MAY-05 1RZW 1 TITLE COMPND AUTHOR JRNL
REVDAT 3 2 1 REMARK MASTER
REVDAT 2 25-JAN-05 1RZW 1 AUTHOR KEYWDS REMARK
REVDAT 1 16-NOV-04 1RZW 0
JRNL AUTH R.POWERS,N.MIRKOVIC,S.GOLDSMITH-FISCHMAN,T.B.ACTON,Y.CHIANG,
JRNL AUTH 2 Y.J.HUANG,L.MA,P.K.RAJAN,J.R.CORT,M.A.KENNEDY,J.LIU,B.ROST,
JRNL AUTH 3 B.HONIG,D.MURRAY,G.T.MONTELIONE
JRNL TITL SOLUTION STRUCTURE OF ARCHAEGLOBUS FULGIDIS PEPTIDYL-TRNA
JRNL TITL 2 HYDROLASE (PTH2) PROVIDES EVIDENCE FOR AN EXTENSIVE
JRNL TITL 3 CONSERVED FAMILY OF PTH2 ENZYMES IN ARCHEA, BACTERIA, AND
JRNL TITL 4 EUKARYOTES
JRNL REF PROTEIN SCI. V. 14 2849 2005
JRNL REFN ISSN 0961-8368
JRNL PMID 16251366
JRNL DOI 10.1110/PS.051666705
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.POWERS,T.B.ACTON,Y.CHIANG,R.PARANJI,J.R.CORT,M.A.KENNEDY,
REMARK 1 AUTH 2 J.LIU,L.MA,B.ROST,G.T.MONTELIONE
REMARK 1 TITL 1H, 13C AND 15N ASSIGNMENTS FOR THE ARCHAEGLOBUS FULGIDIS
REMARK 1 TITL 2 PROTEIN AF2095.
REMARK 1 REF J.BIOMOL.NMR V. 30 107 2004
REMARK 1 REFN ISSN 0925-2738
REMARK 1 PMID 15452442
REMARK 1 DOI 10.1023/B:JNMR.0000042947.19593.80
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.2, AUTOSTRUCTURE 2.0B
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), HUANG, MONTELIONE
REMARK 3 (AUTOSTRUCTURE)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1RZW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-JAN-04.
REMARK 100 THE DEPOSITION ID IS D_1000021192.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 313
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 20 MM MES, 100 MM NACL, 5 MM
REMARK 210 CACL2, 10 MM DTT, 0.02% NAN3
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 20 MM MES, 100 MM NACL, 5 MM
REMARK 210 CACL2, 10 MM DTT, 0.02% NAN3, 5%
REMARK 210 D2O PH 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA; TRIPLE-
REMARK 210 RESONANCE EXPERIMENTS FOR
REMARK 210 BACKBONE/SIDECHAIN ASSIGNMENTS
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR-NIH 2.9.1, PIPP 4.3.5,
REMARK 210 AUTOASSIGN 1.11.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING MOLECULAR DYNAMICS
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: 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 HG SER A 35 HH12 ARG A 40 1.28
REMARK 500 O VAL A 24 H ALA A 28 1.54
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 ASP A 12 60.48 86.17
REMARK 500 SER A 37 -85.27 -47.51
REMARK 500 LYS A 42 -72.03 -67.63
REMARK 500 ASP A 45 -34.05 -39.10
REMARK 500 ASP A 80 90.80 -54.20
REMARK 500 THR A 84 62.44 -166.65
REMARK 500 GLU A 85 -76.77 -139.03
REMARK 500 PRO A 88 170.78 -57.98
REMARK 500 HIS A 119 -82.03 -80.25
REMARK 500 HIS A 121 40.01 -176.52
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: GR4 RELATED DB: TARGETDB
DBREF 1RZW A 1 115 UNP O28185 PTH_ARCFU 1 115
SEQADV 1RZW LEU A 116 UNP O28185 EXPRESSION TAG
SEQADV 1RZW GLU A 117 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 118 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 119 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 120 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 121 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 122 UNP O28185 EXPRESSION TAG
SEQADV 1RZW HIS A 123 UNP O28185 EXPRESSION TAG
SEQRES 1 A 123 MET THR LEU LYS GLN VAL ILE VAL VAL ARG ASP ASP LEU
SEQRES 2 A 123 LYS LEU SER ARG GLY LYS LEU ALA VAL GLN VAL ALA HIS
SEQRES 3 A 123 ALA ALA ILE ILE GLY TYR LEU LYS SER ASP SER SER LEU
SEQRES 4 A 123 ARG ARG LYS TRP LEU ASP GLU GLY GLN LYS LYS VAL VAL
SEQRES 5 A 123 LEU LYS VAL LYS SER LEU GLU GLU LEU LEU GLY ILE LYS
SEQRES 6 A 123 HIS LYS ALA GLU SER LEU GLY LEU VAL THR GLY LEU VAL
SEQRES 7 A 123 GLN ASP ALA GLY LEU THR GLU VAL PRO PRO GLY THR ILE
SEQRES 8 A 123 THR ALA VAL VAL ILE GLY PRO ASP GLU GLU ARG LYS ILE
SEQRES 9 A 123 ASP LYS VAL THR GLY ASN LEU PRO LEU LEU LYS LEU GLU
SEQRES 10 A 123 HIS HIS HIS HIS HIS HIS
HELIX 1 1 GLY A 18 SER A 37 1 20
HELIX 2 2 SER A 38 TRP A 43 1 6
HELIX 3 3 LEU A 44 GLY A 47 5 4
HELIX 4 4 SER A 57 LEU A 71 1 15
HELIX 5 5 GLU A 100 GLY A 109 1 10
SHEET 1 A 4 LYS A 50 LYS A 54 0
SHEET 2 A 4 LYS A 4 ARG A 10 1 N VAL A 9 O LEU A 53
SHEET 3 A 4 THR A 92 ASP A 99 -1 O ASP A 99 N LYS A 4
SHEET 4 A 4 THR A 75 VAL A 78 -1 N GLY A 76 O VAL A 95
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