Header list of 1sg7.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-FEB-04 1SG7
TITLE NMR SOLUTION STRUCTURE OF THE PUTATIVE CATION TRANSPORT REGULATOR CHAB
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PUTATIVE CATION TRANSPORT REGULATOR CHAB;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 GENE: CHAB;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 GOLD (DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-15B
KEYWDS STRUCTURAL GENOMICS, MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS
KEYWDS 2 INITIATIVE, BSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 17
AUTHOR M.J.OSBORNE,N.SIDDIQUI,M.CYGLER,K.GEHRING,MONTREAL-KINGSTON BACTERIAL
AUTHOR 2 STRUCTURAL GENOMICS INITIATIVE (BSGI)
REVDAT 3 02-MAR-22 1SG7 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1SG7 1 VERSN
REVDAT 1 08-MAR-05 1SG7 0
JRNL AUTH M.J.OSBORNE,N.SIDDIQUI,P.IANNUZZI,K.GEHRING
JRNL TITL THE SOLUTION STRUCTURE OF CHAB, A PUTATIVE MEMBRANE ION
JRNL TITL 2 ANTIPORTER REGULATOR FROM ESCHERICHIA COLI
JRNL REF BMC STRUCT.BIOL. V. 4 9 2004
JRNL REFN ESSN 1472-6807
JRNL PMID 15306028
JRNL DOI 10.1186/1472-6807-4-9
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.2, CNS 1.1
REMARK 3 AUTHORS : DELAGLIO ET AL (NMRPIPE), BRUNGER ET AL (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES WERE DETERMINED FROM
REMARK 3 2150 NOE RESTRAINTS, 49 DIHEDRAL ANGLE CONSTRAINTS AND 58
REMARK 3 RESIDUAL DIPOLAR COUPLING RESTRAINTS.
REMARK 4
REMARK 4 1SG7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-FEB-04.
REMARK 100 THE DEPOSITION ID IS D_1000021685.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 303
REMARK 210 PH : 6.3; 6.3
REMARK 210 IONIC STRENGTH : 50MM CACL2; 50MM PHOSPHATE,
REMARK 210 100MM NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM CHAB U-15N,13C 50MM CACL2
REMARK 210 1MM NAN3; 1MM CHAB U-15N,50MM
REMARK 210 PHOSPHATE BUFFER, 100MM NACL,
REMARK 210 1MM NAN3, 11MG/ML PF1 PHAGE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 15N/13C EDITED NOESY; HNHA;
REMARK 210 3D_13C-SEPARATED_NOESY; 4D_13C-
REMARK 210 SEPARATED_NOESY; IPAP-HSQC; 4D_
REMARK 210 13C/15N-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE; UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 5.0.4, ARIA 1.1, CNS 1.1
REMARK 210 METHOD USED : SIMULATED ANNEALING MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 16
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 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 1-17
REMARK 465 RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 GLY A 2
REMARK 465 SER A 3
REMARK 465 SER A 4
REMARK 465 HIS A 5
REMARK 465 HIS A 6
REMARK 465 HIS A 7
REMARK 465 HIS A 8
REMARK 465 HIS A 9
REMARK 465 HIS A 10
REMARK 465 HIS A 11
REMARK 465 HIS A 12
REMARK 465 SER A 13
REMARK 465 SER A 14
REMARK 465 GLY A 15
REMARK 465 PHE A 16
REMARK 465 ASN A 17
REMARK 465 PRO A 18
REMARK 465 ARG A 19
REMARK 465 GLY A 20
REMARK 465 SER A 21
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 O TRP A 77 H LYS A 81 1.52
REMARK 500 H ALA A 85 O HIS A 93 1.59
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 THR A 25 -56.10 -125.85
REMARK 500 1 LYS A 26 -52.76 178.70
REMARK 500 1 VAL A 36 -31.54 -142.42
REMARK 500 1 PRO A 38 -79.65 -55.85
REMARK 500 1 SER A 39 -79.48 -149.38
REMARK 500 1 LYS A 59 40.92 -106.49
REMARK 500 1 ASP A 64 48.62 -91.27
REMARK 500 1 ASP A 88 32.54 -84.99
REMARK 500 1 ASP A 89 -87.95 -131.74
REMARK 500 1 ASP A 90 27.45 -171.18
REMARK 500 1 LYS A 95 -81.26 -80.73
REMARK 500 2 THR A 25 -61.98 -125.05
REMARK 500 2 LYS A 26 -51.35 -179.34
REMARK 500 2 VAL A 36 -32.65 -143.08
REMARK 500 2 PRO A 38 -169.44 -60.18
REMARK 500 2 SER A 39 -80.79 -57.22
REMARK 500 2 LYS A 59 34.50 -93.04
REMARK 500 2 ASP A 64 48.46 -84.24
REMARK 500 2 ASP A 88 32.13 -86.73
REMARK 500 2 ASP A 89 -81.44 -126.93
REMARK 500 2 ASP A 90 28.78 -179.93
REMARK 500 2 LYS A 95 -82.11 -81.40
REMARK 500 3 THR A 25 -59.31 -125.05
REMARK 500 3 LYS A 26 -48.42 176.71
REMARK 500 3 VAL A 36 -34.71 -149.91
REMARK 500 3 PRO A 38 -83.78 -54.67
REMARK 500 3 SER A 39 -74.18 -148.16
REMARK 500 3 ASP A 64 47.91 -92.70
REMARK 500 3 ASP A 88 27.74 -67.59
REMARK 500 3 ASP A 89 -155.99 -144.49
REMARK 500 3 LYS A 95 -80.75 -81.88
REMARK 500 4 THR A 25 -57.44 -125.23
REMARK 500 4 LYS A 26 -50.95 174.25
REMARK 500 4 VAL A 36 -32.39 -142.66
REMARK 500 4 SER A 39 -74.95 -52.73
REMARK 500 4 LYS A 59 35.47 -95.15
REMARK 500 4 ASP A 64 43.96 -79.78
REMARK 500 4 ASP A 88 31.08 -84.69
REMARK 500 4 ASP A 89 -83.25 -128.11
REMARK 500 4 ASP A 90 27.74 -177.70
REMARK 500 4 LYS A 95 -81.89 -82.53
REMARK 500 5 THR A 25 -64.09 -125.42
REMARK 500 5 LYS A 26 -49.05 -179.15
REMARK 500 5 VAL A 36 -27.50 -144.87
REMARK 500 5 PRO A 38 -83.19 -56.57
REMARK 500 5 SER A 39 -74.40 -148.12
REMARK 500 5 LYS A 59 45.94 -99.00
REMARK 500 5 ASP A 64 45.93 -87.36
REMARK 500 5 ASP A 88 33.11 -83.10
REMARK 500 5 ASP A 89 -84.14 -127.89
REMARK 500
REMARK 500 THIS ENTRY HAS 186 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: CHAB_ECO57 RELATED DB: TARGETDB
DBREF 1SG7 A 22 96 UNP P39162 CHAB_ECOLI 1 75
SEQADV 1SG7 MET A 1 UNP P39162 INITIATING METHIONINE
SEQADV 1SG7 GLY A 2 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 SER A 3 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 SER A 4 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 HIS A 5 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 6 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 7 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 8 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 9 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 10 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 11 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 HIS A 12 UNP P39162 EXPRESSION TAG
SEQADV 1SG7 SER A 13 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 SER A 14 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 GLY A 15 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 PHE A 16 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 ASN A 17 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 PRO A 18 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 ARG A 19 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 GLY A 20 UNP P39162 CLONING ARTIFACT
SEQADV 1SG7 SER A 21 UNP P39162 CLONING ARTIFACT
SEQRES 1 A 96 MET GLY SER SER HIS HIS HIS HIS HIS HIS HIS HIS SER
SEQRES 2 A 96 SER GLY PHE ASN PRO ARG GLY SER PRO TYR LYS THR LYS
SEQRES 3 A 96 SER ASP LEU PRO GLU SER VAL LYS HIS VAL LEU PRO SER
SEQRES 4 A 96 HIS ALA GLN ASP ILE TYR LYS GLU ALA PHE ASN SER ALA
SEQRES 5 A 96 TRP ASP GLN TYR LYS ASP LYS GLU ASP ARG ARG ASP ASP
SEQRES 6 A 96 ALA SER ARG GLU GLU THR ALA HIS LYS VAL ALA TRP ALA
SEQRES 7 A 96 ALA VAL LYS HIS GLU TYR ALA LYS GLY ASP ASP ASP LYS
SEQRES 8 A 96 TRP HIS LYS LYS SER
HELIX 1 1 PRO A 30 HIS A 35 1 6
HELIX 2 2 SER A 39 TYR A 56 1 18
HELIX 3 3 ASP A 64 GLU A 83 1 20
SHEET 1 A 2 TYR A 84 LYS A 86 0
SHEET 2 A 2 TRP A 92 LYS A 94 -1 O HIS A 93 N ALA A 85
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