HEADER RNA BINDING PROTEIN 13-NOV-04 1Y00
TITLE SOLUTION STRUCTURE OF THE CARBON STORAGE REGULATOR PROTEIN CSRA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CARBON STORAGE REGULATOR;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 GENE: CSRA;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS CARBON STORAGE REGULATION, MONTREAL-KINGSTON BACTERIAL STRUCTURAL
KEYWDS 2 GENOMICS INITIATIVE, BSGI, STRUCTURAL GENOMICS, RNA BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.GUTIERREZ,Y.LI,M.J.OSBORNE,Q.LIU,K.GEHRING,MONTREAL-KINGSTON
AUTHOR 2 BACTERIAL STRUCTURAL GENOMICS INITIATIVE (BSGI)
REVDAT 3 02-MAR-22 1Y00 1 REMARK
REVDAT 2 24-FEB-09 1Y00 1 VERSN
REVDAT 1 21-JUN-05 1Y00 0
JRNL AUTH P.GUTIERREZ,Y.LI,M.J.OSBORNE,E.POMERANTSEVA,Q.LIU,K.GEHRING
JRNL TITL SOLUTION STRUCTURE OF THE CARBON STORAGE REGULATOR PROTEIN
JRNL TITL 2 CSRA FROM ESCHERICHIA COLI.
JRNL REF J.BACTERIOL. V. 187 3496 2005
JRNL REFN ISSN 0021-9193
JRNL PMID 15866937
JRNL DOI 10.1128/JB.187.10.3496-3501.2005
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1, CNS 1.1
REMARK 3 AUTHORS : BRUNGER, A.T. (CNS), BRUNGER, A.T. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1Y00 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-NOV-04.
REMARK 100 THE DEPOSITION ID IS D_1000030943.
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 : 300 MM NACL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 2MM CSRA 15N, 13C, 50MM NA
REMARK 210 -ACETATE BUFFER, 300MM NACL, 10%
REMARK 210 D20, 90% H20; 2MM CSRA 15N, 50MM
REMARK 210 NA-ACETATE BUFFER, 300MM NACL,
REMARK 210 10% D20, 90% H20; 2MM MIXED 15N,
REMARK 210 13C/UNLABELLED CSRA, 50MM NA-
REMARK 210 ACETATE BUFFER, 300MM NACL, 10%
REMARK 210 D20, 90% H20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCACB; CBCACONH; 3D-EDITED
REMARK 210 NOESY; 3D-EDITED TOCSY; 13C
REMARK 210 FILTER EDITED 3D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW, NMRPIPE
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: 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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 ARG A 7 74.31 175.92
REMARK 500 1 VAL A 8 -60.80 176.97
REMARK 500 1 GLU A 10 -161.90 -72.17
REMARK 500 1 THR A 11 89.43 172.35
REMARK 500 1 ASP A 16 17.39 -165.77
REMARK 500 1 GLU A 17 59.42 158.92
REMARK 500 1 VAL A 18 -157.37 -120.50
REMARK 500 1 THR A 19 105.55 167.58
REMARK 500 1 LEU A 23 -70.63 -13.16
REMARK 500 1 LYS A 26 165.49 174.70
REMARK 500 1 LYS A 38 34.60 -93.25
REMARK 500 1 SER A 41 97.77 -59.64
REMARK 500 1 ALA A 53 -73.51 -66.44
REMARK 500 1 LYS A 55 93.49 -62.01
REMARK 500 1 GLN A 57 -71.45 -144.77
REMARK 500 1 ARG B 7 74.42 175.93
REMARK 500 1 VAL B 8 -60.76 176.87
REMARK 500 1 GLU B 10 -161.92 -72.17
REMARK 500 1 THR B 11 89.42 172.30
REMARK 500 1 ASP B 16 17.35 -165.75
REMARK 500 1 GLU B 17 59.55 158.90
REMARK 500 1 VAL B 18 -157.34 -120.60
REMARK 500 1 THR B 19 105.55 167.61
REMARK 500 1 LEU B 23 -70.60 -13.19
REMARK 500 1 LYS B 26 165.52 174.69
REMARK 500 1 LYS B 38 34.67 -93.29
REMARK 500 1 SER B 41 97.83 -59.64
REMARK 500 1 ALA B 53 -73.48 -66.47
REMARK 500 1 LYS B 55 92.61 -65.58
REMARK 500 1 SER B 56 87.22 57.41
REMARK 500 1 GLN B 58 -174.04 63.22
REMARK 500 1 SER B 59 -74.29 -60.28
REMARK 500 2 ARG A 7 -6.14 177.39
REMARK 500 2 GLU A 10 -70.55 -96.84
REMARK 500 2 THR A 11 103.45 75.87
REMARK 500 2 ASP A 16 11.65 -159.41
REMARK 500 2 GLU A 17 61.80 157.40
REMARK 500 2 VAL A 18 -155.74 -118.48
REMARK 500 2 THR A 19 103.14 168.59
REMARK 500 2 LYS A 26 165.29 176.90
REMARK 500 2 ASN A 28 -69.52 65.68
REMARK 500 2 ARG A 44 -49.56 -154.65
REMARK 500 2 LYS A 55 -35.59 149.67
REMARK 500 2 SER A 56 176.88 64.56
REMARK 500 2 GLN A 57 -53.44 -177.46
REMARK 500 2 ARG B 7 -6.14 177.37
REMARK 500 2 GLU B 10 -70.59 -96.88
REMARK 500 2 THR B 11 103.36 75.83
REMARK 500 2 ASP B 16 11.71 -159.49
REMARK 500 2 GLU B 17 61.72 157.35
REMARK 500
REMARK 500 THIS ENTRY HAS 551 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: CSRA_ECOLI RELATED DB: TARGETDB
DBREF 1Y00 A 1 61 UNP P69913 CSRA_ECOLI 1 61
DBREF 1Y00 B 1 61 UNP P69913 CSRA_ECOLI 1 61
SEQRES 1 A 61 MET LEU ILE LEU THR ARG ARG VAL GLY GLU THR LEU MET
SEQRES 2 A 61 ILE GLY ASP GLU VAL THR VAL THR VAL LEU GLY VAL LYS
SEQRES 3 A 61 GLY ASN GLN VAL ARG ILE GLY VAL ASN ALA PRO LYS GLU
SEQRES 4 A 61 VAL SER VAL HIS ARG GLU GLU ILE TYR GLN ARG ILE GLN
SEQRES 5 A 61 ALA GLU LYS SER GLN GLN SER SER TYR
SEQRES 1 B 61 MET LEU ILE LEU THR ARG ARG VAL GLY GLU THR LEU MET
SEQRES 2 B 61 ILE GLY ASP GLU VAL THR VAL THR VAL LEU GLY VAL LYS
SEQRES 3 B 61 GLY ASN GLN VAL ARG ILE GLY VAL ASN ALA PRO LYS GLU
SEQRES 4 B 61 VAL SER VAL HIS ARG GLU GLU ILE TYR GLN ARG ILE GLN
SEQRES 5 B 61 ALA GLU LYS SER GLN GLN SER SER TYR
HELIX 1 1 GLU A 45 GLN A 52 1 8
HELIX 2 2 GLU B 45 GLN B 52 1 8
SHEET 1 A 3 LEU A 2 ARG A 6 0
SHEET 2 A 3 VAL B 30 ASN B 35 -1 O VAL B 34 N LEU A 2
SHEET 3 A 3 THR B 19 THR B 21 -1 N THR B 21 O GLY B 33
SHEET 1 B 2 MET A 13 GLY A 15 0
SHEET 2 B 2 SER B 41 HIS B 43 -1 O HIS B 43 N MET A 13
SHEET 1 C 3 THR A 19 THR A 21 0
SHEET 2 C 3 VAL A 30 ASN A 35 -1 O GLY A 33 N THR A 21
SHEET 3 C 3 LEU B 2 ARG B 6 -1 O LEU B 2 N VAL A 34
SHEET 1 D 2 SER A 41 HIS A 43 0
SHEET 2 D 2 MET B 13 GLY B 15 -1 O MET B 13 N HIS A 43
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
(ATOM LINES ARE NOT SHOWN.)
END
