Header list of 1spw.pdb file
Complete list - 2 20 Bytes
HEADER ELECTRON TRANSPORT 17-MAR-04 1SPW
TITLE SOLUTION STRUCTURE OF A LOOP TRUNCATED MUTANT FROM D. GIGAS
TITLE 2 RUBREDOXIN, NMR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RUBREDOXIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: RD;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;
SOURCE 3 ORGANISM_TAXID: 879;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21DE;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PT7-7
KEYWDS TRUNCATED LOOP, ELECTRON TRANSPORT
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.M.PAIS,P.LAMOSA,W.DOS SANTOS,J.LEGALL,D.L.TURNER,H.SANTOS
REVDAT 4 02-MAR-22 1SPW 1 REMARK
REVDAT 3 24-FEB-09 1SPW 1 VERSN
REVDAT 2 21-JUN-05 1SPW 1 DBREF
REVDAT 1 29-MAR-05 1SPW 0
JRNL AUTH T.M.PAIS,P.LAMOSA,W.DOS SANTOS,J.LEGALL,D.L.TURNER,H.SANTOS
JRNL TITL STRUCTURAL DETERMINANTS OF PROTEIN STABILIZATION BY SOLUTES:
JRNL TITL 2 THE IMPORTANCE OF THE HAIRPIN LOOP IN RUBREDOXINS
JRNL REF FEBS J. V. 272 999 2005
JRNL REFN ISSN 1742-464X
JRNL PMID 15691333
JRNL DOI 10.1111/J.1742-4658.2004.04534.X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : GLOMSA
REMARK 3 AUTHORS : GUNTERT ET AL.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1SPW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-MAR-04.
REMARK 100 THE DEPOSITION ID IS D_1000021900.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 313
REMARK 210 PH : 7.6; 7.6
REMARK 210 IONIC STRENGTH : 20 MM NACL; 20 MM NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 4 MM MUTANT PROTEIN; 90% H2O,
REMARK 210 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 3.1, DYANA 1.4 WITH
REMARK 210 MODIFICATIONS, XEASY 1.3.10,
REMARK 210 PROCHECK-NMR 3.4.4
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 500
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
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 ASP A 2 56.64 164.80
REMARK 500 1 GLU A 18 -45.34 -135.37
REMARK 500 1 PRO A 21 174.87 -47.23
REMARK 500 1 ASP A 22 57.45 -104.97
REMARK 500 1 ASP A 23 71.61 173.54
REMARK 500 1 VAL A 28 -73.13 -133.48
REMARK 500 1 LYS A 33 46.25 -86.52
REMARK 500 2 ASP A 2 98.74 51.54
REMARK 500 2 PRO A 15 131.98 -34.48
REMARK 500 2 ALA A 16 73.52 83.05
REMARK 500 2 PHE A 17 -64.62 -93.28
REMARK 500 2 GLU A 18 -71.19 -178.99
REMARK 500 2 LEU A 20 83.42 38.40
REMARK 500 2 ASP A 22 35.95 -93.73
REMARK 500 2 ASP A 23 43.38 -162.59
REMARK 500 2 VAL A 28 -73.55 -139.60
REMARK 500 2 LYS A 33 49.42 -85.20
REMARK 500 2 LYS A 38 139.11 -39.91
REMARK 500 3 ASP A 2 91.73 44.12
REMARK 500 3 TYR A 11 157.28 -39.93
REMARK 500 3 PRO A 15 107.14 -34.53
REMARK 500 3 ALA A 16 68.21 173.19
REMARK 500 3 ASP A 19 94.79 176.43
REMARK 500 3 PRO A 21 -175.61 -67.71
REMARK 500 3 ASP A 22 55.78 -98.18
REMARK 500 3 ASP A 23 62.93 178.24
REMARK 500 3 VAL A 28 -91.05 -109.11
REMARK 500 3 LYS A 33 40.69 -90.24
REMARK 500 4 TYR A 11 161.29 -41.89
REMARK 500 4 PRO A 15 127.11 -36.29
REMARK 500 4 ALA A 16 -29.25 163.10
REMARK 500 4 PHE A 17 -174.17 -54.41
REMARK 500 4 GLU A 18 -57.23 -127.61
REMARK 500 4 ASP A 19 95.05 -55.95
REMARK 500 4 ASP A 22 53.22 -94.24
REMARK 500 4 ASP A 23 56.36 -179.57
REMARK 500 4 CYS A 26 107.38 -48.65
REMARK 500 4 PRO A 27 -18.97 -48.22
REMARK 500 4 VAL A 28 -90.61 -85.02
REMARK 500 4 ALA A 31 160.97 -47.17
REMARK 500 5 ASP A 2 -59.59 -122.95
REMARK 500 5 PRO A 15 94.99 -36.11
REMARK 500 5 ALA A 16 70.36 -177.25
REMARK 500 5 ASP A 19 93.97 178.94
REMARK 500 5 ASP A 22 55.84 -93.62
REMARK 500 5 ASP A 23 60.85 -178.25
REMARK 500 5 VAL A 28 -92.69 -113.80
REMARK 500 5 ASP A 34 94.90 -46.37
REMARK 500 5 ALA A 35 -28.34 161.70
REMARK 500 6 TYR A 4 71.17 -114.60
REMARK 500
REMARK 500 THIS ENTRY HAS 188 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 RESIDUES 17-29 WERE DELETED
DBREF 1SPW A 1 16 UNP P00270 RUBR_DESGI 1 16
DBREF 1SPW A 17 39 UNP P00270 RUBR_DESGI 30 52
SEQRES 1 A 39 MET ASP ILE TYR VAL CYS THR VAL CYS GLY TYR GLU TYR
SEQRES 2 A 39 ASP PRO ALA PHE GLU ASP LEU PRO ASP ASP TRP ALA CYS
SEQRES 3 A 39 PRO VAL CYS GLY ALA SER LYS ASP ALA PHE GLU LYS GLN
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 - 2 20 Bytes