Header list of 1xs8.pdb file
Complete list - r 2 2 Bytes
HEADER METAL TRANSPORT 18-OCT-04 1XS8 TITLE SOLUTION STRUCTURE OF YGGX PROTEIN OF SALMONELLA ENTERICA COMPND MOL_ID: 1; COMPND 2 MOLECULE: UPF0269 PROTEIN YGGX; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 STRAIN: TYPHIMURIUM LT2; SOURCE 5 GENE: YGGX; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PTYB2 KEYWDS HELIX-TURN-HELIX, METAL TRANSPORT EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR C.QIU,M.P.THORGERSEN,W.M.WESTLER,D.M.DOWNS,J.L.MARKLEY REVDAT 3 02-MAR-22 1XS8 1 REMARK SEQADV REVDAT 2 24-FEB-09 1XS8 1 VERSN REVDAT 1 04-JAN-05 1XS8 0 JRNL AUTH C.QIU,M.P.THORGERSEN,W.M.WESTLER,D.M.DOWNS,J.L.MARKLEY JRNL TITL SOLUTION STRUTCURE OF YGGX:A PROTEIN INVOLVED IN PROTECTION JRNL TITL 2 OF FE-S CLUSTERS TOWARDS OXIDATION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1, ARIA 1.2 REMARK 3 AUTHORS : VARIAN (VNMR), NILGES (ARIA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 2568 RESTRAINTS, 2410 ARE REMARK 3 NOE-DERIVED REMARK 3 DISTANCE CONSTRAINTS, 106 DIHEDRAL ANGLE RESTRAINTS,52 DISTANCE REMARK 3 RESTRAINTS REMARK 3 FROM HYDROGEN BONDS. REMARK 4 REMARK 4 1XS8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-04. REMARK 100 THE DEPOSITION ID IS D_1000030707. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 7.8 REMARK 210 IONIC STRENGTH : 10 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 19.3 MG/ML YGGX, 10 MM REMARK 210 DEUTERATED TRIS, 10% D2O/H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 1.7, FELIX 98, CNS 1.1 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 18 -87.57 -71.66 REMARK 500 1 TYR A 22 -49.57 -176.00 REMARK 500 1 GLU A 76 -56.55 72.85 REMARK 500 2 PHE A 19 -73.70 -174.42 REMARK 500 2 GLN A 20 84.57 62.11 REMARK 500 2 LEU A 21 -74.71 -93.69 REMARK 500 2 TYR A 85 -162.53 61.84 REMARK 500 3 GLN A 17 -88.36 -65.61 REMARK 500 3 TYR A 22 -53.15 -162.85 REMARK 500 3 GLU A 76 -48.04 72.28 REMARK 500 3 GLU A 83 -52.43 -140.72 REMARK 500 3 PRO A 87 99.27 -69.29 REMARK 500 4 GLN A 17 -152.75 57.87 REMARK 500 4 ASP A 18 -167.90 -113.10 REMARK 500 4 GLN A 20 96.34 -61.41 REMARK 500 4 TYR A 22 -53.70 -174.04 REMARK 500 4 GLU A 76 92.37 62.49 REMARK 500 4 TYR A 85 -171.83 60.03 REMARK 500 5 PHE A 19 115.83 70.19 REMARK 500 5 TYR A 22 -49.00 -160.88 REMARK 500 6 TYR A 22 -56.59 -148.79 REMARK 500 6 GLU A 76 90.13 68.73 REMARK 500 6 ASP A 89 -69.17 73.11 REMARK 500 7 GLN A 17 -174.18 61.40 REMARK 500 7 TYR A 22 -57.30 -151.52 REMARK 500 7 LYS A 54 70.06 54.49 REMARK 500 7 PRO A 87 99.72 -66.86 REMARK 500 7 GLU A 88 -71.78 -104.42 REMARK 500 8 SER A 2 -146.89 -90.91 REMARK 500 8 GLN A 17 -93.11 -60.84 REMARK 500 8 GLN A 20 99.27 -67.89 REMARK 500 8 TYR A 22 -51.65 -169.28 REMARK 500 8 GLU A 76 -28.48 73.11 REMARK 500 8 GLU A 83 -39.02 -140.08 REMARK 500 8 TYR A 85 91.77 56.30 REMARK 500 9 SER A 2 -157.16 59.89 REMARK 500 9 GLN A 17 -167.89 -70.24 REMARK 500 9 ASP A 18 -168.78 -76.57 REMARK 500 9 TYR A 22 -53.08 -154.51 REMARK 500 9 MET A 57 41.49 -92.63 REMARK 500 9 GLU A 83 92.08 62.34 REMARK 500 9 PRO A 87 -169.89 -73.60 REMARK 500 10 GLN A 17 -111.16 -75.49 REMARK 500 10 TYR A 22 -53.63 -153.42 REMARK 500 10 LYS A 54 80.89 61.14 REMARK 500 10 GLU A 83 -31.49 -144.58 REMARK 500 10 PRO A 87 -178.18 -68.99 REMARK 500 10 GLU A 88 77.80 62.51 REMARK 500 11 GLN A 17 -166.12 58.33 REMARK 500 11 ASP A 18 -153.62 -91.27 REMARK 500 REMARK 500 THIS ENTRY HAS 101 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1XS8 A 2 91 UNP P67617 FETP_SALTY 1 90 SEQADV 1XS8 MET A 1 UNP P67617 INITIATING METHIONINE SEQRES 1 A 91 MET SER ARG THR ILE PHE CYS THR TYR LEU GLN ARG ASP SEQRES 2 A 91 ALA GLU GLY GLN ASP PHE GLN LEU TYR PRO GLY GLU LEU SEQRES 3 A 91 GLY LYS ARG ILE TYR ASN GLU ILE SER LYS ASP ALA TRP SEQRES 4 A 91 ALA GLN TRP GLN HIS LYS GLN THR MET LEU ILE ASN GLU SEQRES 5 A 91 LYS LYS LEU ASN MET MET ASN ALA GLU HIS ARG LYS LEU SEQRES 6 A 91 LEU GLU GLN GLU MET VAL SER PHE LEU PHE GLU GLY LYS SEQRES 7 A 91 ASP VAL HIS ILE GLU GLY TYR THR PRO GLU ASP LYS LYS HELIX 1 1 GLY A 24 ASN A 32 1 9 HELIX 2 2 SER A 35 LYS A 54 1 20 HELIX 3 3 ASN A 59 PHE A 75 1 17 SHEET 1 A 2 THR A 4 PHE A 6 0 SHEET 2 A 2 ASP A 13 GLU A 15 -1 O ALA A 14 N ILE A 5 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