Header list of 1t3o.pdb file
Complete list - r 2 2 Bytes
HEADER RNA BINDING PROTEIN 27-APR-04 1T3O
TITLE SOLUTION STRUCTURE OF CSRA, A BACTERIAL CARBON STORAGE REGULATORY
TITLE 2 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CARBON STORAGE REGULATOR;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;
SOURCE 3 ORGANISM_TAXID: 1423;
SOURCE 4 GENE: CSRA, BSU35370;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 (PLYS);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET16B
KEYWDS CSRA, CSRB, CSRC, MOSTLY BETA STRANDS, RNA BINDING PROTEIN, BETA
KEYWDS 2 SHEET SURFACE
EXPDTA SOLUTION NMR
NUMMDL 14
AUTHOR L.M.I.KOHARUDIN,T.GEORGIOU,C.KLEANTHOUS,R.GEOFFREY,R.KAPTEIN,
AUTHOR 2 R.BOELENS
REVDAT 3 02-MAR-22 1T3O 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1T3O 1 VERSN
REVDAT 1 18-OCT-05 1T3O 0
JRNL AUTH L.M.I.KOHARUDIN,T.GEORGIOU,C.KLEANTHOUS,R.GEOFFREY,
JRNL AUTH 2 R.KAPTEIN,R.BOELENS
JRNL TITL A MODEL FOR RNA BINDING BY THE BACTERIAL CARBON STORAGE
JRNL TITL 2 REGULATORY PROTEIN, CSRA
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, CNS 1.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 200 STRUCTURES ARE CALCULATED IN EACH
REMARK 3 ITERATION; 30 STRUCTURES WITH LOWEST RESTRAINT ENERGY REFINED
REMARK 3 AFTER ITERATION 8. REFINEMENT CARRIED OUT BY INCLUSION OF
REMARK 3 IMPLICIT WATER SOLVENT.
REMARK 4
REMARK 4 1T3O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-APR-04.
REMARK 100 THE DEPOSITION ID IS D_1000022271.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 5.2
REMARK 210 IONIC STRENGTH : 150 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.5 MM CSRA; U-15N; 50MM
REMARK 210 PHOSPHATE BUFFER; 150 MM NACL;
REMARK 210 95% H2O, 5% D2O; 0.5 MM CSRA; U-
REMARK 210 13C/15N; 50MM PHOSPHATE BUFFER;
REMARK 210 150 MM NACL, 95% H2O, 5% D2O;
REMARK 210 0.5 MM CSRA; U-15N; 50MM
REMARK 210 PHOSPHATE BUFFER; 150 MM NACL;
REMARK 210 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 700 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW 5.0, ARIA 1.2,
REMARK 210 CNS 1.1
REMARK 210 METHOD USED : AUTOMATIC PEAK ASSIGNMENT BY
REMARK 210 ARIA; SIMULATED ANNEALING IN CNS;
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 14
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: IN GENERAL, ALL NMR EXPERIMENTS WERE PERFORMED ESSENTIALLY
REMARK 210 AS DESCRIBED IN CAVANAGH, ET AL. (1996), ESPECIALLY FOR 3D
REMARK 210 EXPERIMENTS REQUIRED FOR SEQUENTIAL BACKBONE ASSIGNMENTS
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 1-14
REMARK 465 RES C SSSEQI
REMARK 465 MET A -20
REMARK 465 GLY A -19
REMARK 465 HIS 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 HIS A -11
REMARK 465 HIS A -10
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 HB VAL A 3 HE2 LYS A 31 1.29
REMARK 500 OE1 GLU A -3 HZ3 LYS A 38 1.57
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 TYR A 48 CE1 TYR A 48 CZ 0.140
REMARK 500 1 TYR A 48 CZ TYR A 48 CE2 -0.134
REMARK 500 3 TYR A 48 CE1 TYR A 48 CZ 0.093
REMARK 500 4 TYR A 48 CE1 TYR A 48 CZ 0.087
REMARK 500 5 TYR A 48 CE1 TYR A 48 CZ 0.108
REMARK 500 5 TYR A 48 CZ TYR A 48 CE2 -0.093
REMARK 500 11 TYR A 48 CE1 TYR A 48 CZ 0.133
REMARK 500 11 TYR A 48 CZ TYR A 48 CE2 -0.113
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 SER A -8 82.81 57.89
REMARK 500 1 SER A -7 -179.27 71.85
REMARK 500 1 LYS A 7 30.55 -97.48
REMARK 500 1 ASN A 9 24.36 44.29
REMARK 500 1 VAL A 20 149.91 175.30
REMARK 500 1 GLU A 26 46.89 -99.86
REMARK 500 1 PRO A 37 30.39 -70.61
REMARK 500 1 HIS A 39 -177.57 -64.58
REMARK 500 1 ARG A 44 -155.53 -117.61
REMARK 500 1 GLU A 46 121.77 74.66
REMARK 500 1 LEU A 49 -73.46 -96.02
REMARK 500 1 THR A 50 16.75 57.74
REMARK 500 1 ILE A 51 -70.23 -101.93
REMARK 500 1 ASN A 55 -96.96 -98.87
REMARK 500 1 ARG A 57 -60.20 -173.50
REMARK 500 1 ALA A 58 72.65 -174.31
REMARK 500 1 SER A 63 -57.45 -168.91
REMARK 500 1 ASP A 64 91.56 58.97
REMARK 500 1 ILE A 66 -25.23 -140.07
REMARK 500 1 SER A 67 -93.18 53.97
REMARK 500 1 LEU A 69 88.83 67.23
REMARK 500 1 GLN A 72 102.97 59.21
REMARK 500 2 LYS A 7 53.64 -93.06
REMARK 500 2 GLU A 10 -126.39 -75.22
REMARK 500 2 ALA A 16 -27.89 169.99
REMARK 500 2 VAL A 20 137.96 178.01
REMARK 500 2 PRO A 37 34.24 -68.94
REMARK 500 2 HIS A 39 -171.86 -62.10
REMARK 500 2 ARG A 44 -63.80 -107.64
REMARK 500 2 ILE A 47 111.54 49.99
REMARK 500 2 LEU A 49 -81.41 -89.80
REMARK 500 2 THR A 50 -32.47 75.60
REMARK 500 2 ASN A 55 -105.56 -85.70
REMARK 500 2 ASN A 56 -19.79 65.38
REMARK 500 2 ARG A 57 -34.33 177.13
REMARK 500 2 ALA A 58 63.79 -105.85
REMARK 500 2 ALA A 60 109.25 -49.45
REMARK 500 2 SER A 62 -165.07 59.26
REMARK 500 2 ILE A 66 -29.73 79.31
REMARK 500 2 SER A 67 -53.38 75.40
REMARK 500 2 LEU A 69 -49.58 71.60
REMARK 500 2 SER A 70 -65.92 70.57
REMARK 500 3 LYS A 7 44.38 -100.93
REMARK 500 3 ALA A 16 -21.24 163.91
REMARK 500 3 VAL A 20 144.48 173.90
REMARK 500 3 PRO A 37 26.87 -77.60
REMARK 500 3 LYS A 38 106.58 66.67
REMARK 500 3 LYS A 45 -74.46 68.62
REMARK 500 3 LEU A 49 -75.08 -107.41
REMARK 500 3 THR A 50 -31.51 75.32
REMARK 500
REMARK 500 THIS ENTRY HAS 269 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 TYR A 48 0.05 SIDE CHAIN
REMARK 500 3 TYR A 48 0.07 SIDE CHAIN
REMARK 500 4 TYR A 48 0.07 SIDE CHAIN
REMARK 500 5 TYR A 48 0.07 SIDE CHAIN
REMARK 500 11 TYR A 48 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1T3O A 1 74 UNP P33911 CSRA_BACSU 1 74
SEQADV 1T3O MET A -20 UNP P33911 INITIATING METHIONINE
SEQADV 1T3O GLY A -19 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -18 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -17 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -16 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -15 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -14 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -13 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -12 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -11 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -10 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -9 UNP P33911 EXPRESSION TAG
SEQADV 1T3O SER A -8 UNP P33911 EXPRESSION TAG
SEQADV 1T3O SER A -7 UNP P33911 EXPRESSION TAG
SEQADV 1T3O GLY A -6 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A -5 UNP P33911 EXPRESSION TAG
SEQADV 1T3O ILE A -4 UNP P33911 EXPRESSION TAG
SEQADV 1T3O GLU A -3 UNP P33911 EXPRESSION TAG
SEQADV 1T3O GLY A -2 UNP P33911 EXPRESSION TAG
SEQADV 1T3O ARG A -1 UNP P33911 EXPRESSION TAG
SEQADV 1T3O HIS A 0 UNP P33911 EXPRESSION TAG
SEQRES 1 A 95 MET GLY HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS SER
SEQRES 2 A 95 SER GLY HIS ILE GLU GLY ARG HIS MET LEU VAL LEU SER
SEQRES 3 A 95 ARG LYS ILE ASN GLU ALA ILE GLN ILE GLY ALA ASP ILE
SEQRES 4 A 95 GLU VAL LYS VAL ILE ALA VAL GLU GLY ASP GLN VAL LYS
SEQRES 5 A 95 LEU GLY ILE ASP ALA PRO LYS HIS ILE ASP ILE HIS ARG
SEQRES 6 A 95 LYS GLU ILE TYR LEU THR ILE GLN GLU GLU ASN ASN ARG
SEQRES 7 A 95 ALA ALA ALA LEU SER SER ASP VAL ILE SER ALA LEU SER
SEQRES 8 A 95 SER GLN LYS LYS
SHEET 1 A 3 HIS A 0 SER A 5 0
SHEET 2 A 3 VAL A 30 ALA A 36 -1 O LEU A 32 N LEU A 4
SHEET 3 A 3 ALA A 24 VAL A 25 -1 N ALA A 24 O LYS A 31
SHEET 1 B 2 ILE A 12 ILE A 14 0
SHEET 2 B 2 ILE A 18 VAL A 20 -1 O ILE A 18 N ILE A 14
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