Header list of 1kft.pdb file
Complete list - b 23 2 Bytes
HEADER DNA BINDING PROTEIN 23-NOV-01 1KFT
TITLE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF UVRC FROM E-COLI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EXCINUCLEASE ABC SUBUNIT C;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HHH DOMAIN(C-TERMINAL DOMAIN);
COMPND 5 SYNONYM: UVRC;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 STRAIN: DE3;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3)-P-LYS-S;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET13B
KEYWDS HELIX-HAIRPIN-HELIX, HHH DOMAIN, DNA-BINDING DOMAIN, DNA BINDING
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 22
AUTHOR S.SINGH,G.E.FOLKERS,A.M.J.J.BONVIN,R.BOELENS,R.WECHSELBERGER,
AUTHOR 2 A.NIZTAYEV,R.KAPTEIN
REVDAT 3 23-FEB-22 1KFT 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1KFT 1 VERSN
REVDAT 1 20-NOV-02 1KFT 0
JRNL AUTH S.SINGH,G.E.FOLKERS,A.M.J.J.BONVIN,R.BOELENS,
JRNL AUTH 2 R.WECHSELBERGER,A.NIZTAYEV,R.KAPTEIN
JRNL TITL SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF THE
JRNL TITL 2 C-TERMINAL DOMAIN OF UVRC FROM E.COLI
JRNL REF EMBO J. V. 21 6257 2002
JRNL REFN ISSN 0261-4189
JRNL PMID 12426397
JRNL DOI 10.1093/EMBOJ/CDF627
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE VERSION 1.8, CNS 1.0
REMARK 3 AUTHORS : DELAGLIO, F., GRZESIEK, S., VUISTER, G., ZHU, G.,
REMARK 3 PFEIFER, J., AND BAX, A. (NMRPIPE), A.T.BRUNGER,
REMARK 3 P.D.ADAMS, G.M.CLORE, W.L.DELANO,P.GROS,
REMARK 3 R.W.GROSSE-KUNSTLEVE, J.-S.JIANG,J.KUSZEWSKI,
REMARK 3 M.NILGES, N.S.PANNU, R.J.READ, L.M.RICE,
REMARK 3 T.SIMONSON, G.L.WARREN. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: CALCULATION WAS DONE ON THE BASIS OF
REMARK 3 1326 UNAMBIGUOUS AND 60 AMBIGUOUS DISTANCE RESTRAINTS WITH THE
REMARK 3 INCLUSION OF 68 DIHEDRAL ANGLE CONSTRAINTS.
REMARK 4
REMARK 4 1KFT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-NOV-01.
REMARK 100 THE DEPOSITION ID IS D_1000014910.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300; 300
REMARK 210 PH : 6.8; 6.8
REMARK 210 IONIC STRENGTH : 300MM NACL, 50MM PHOSPHATE
REMARK 210 BUFFER; 300MM NACL, 50MM
REMARK 210 PHOSPHATE BUFFER
REMARK 210 PRESSURE : ATMOSPHERIC ATM; ATMOSPHERIC ATM
REMARK 210 SAMPLE CONTENTS : 1MM UVRC-CTD 15N LABELLED 300MM
REMARK 210 NACL, 50MM PHOSPHATE BUFFER
REMARK 210 0.2MM COMPLETE PROTEASE
REMARK 210 INHIBITOR 95% H2O, 5% D2O, PH
REMARK 210 6.8; 1MM UVRC-CTD 15N 13C
REMARK 210 DOUBLLY LABELLED 300MM NACL,
REMARK 210 50MM PHOSPHATE BUFFER 0.2MM
REMARK 210 COMPLETE PROTEASE INHIBITOR 95%
REMARK 210 H2O, 5% D2O, PH 6.8
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : AMX; DRX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 4.1.3, ARIA 1.0, CNS 1.0
REMARK 210 METHOD USED : A SIMULATED ANNEALING PROTOCOL
REMARK 210 IN CARTESIAN SPACE WAS USED.
REMARK 210 FINAL REFINEMENT WAS DONE WITH
REMARK 210 EXPLICIT WATER.
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 22
REMARK 210 CONFORMERS, SELECTION CRITERIA : NO NOE DISTANCE VIOLATIONS >
REMARK 210 0.5A AND LOWEST ENERGIES AFTER
REMARK 210 REFINING THE BEST 50 OF THE
REMARK 210 INITIAL 200 IN EXPLICIT WATER
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 5
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 1-22
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 SER A 11
REMARK 465 SER A 12
REMARK 465 GLY A 13
REMARK 465 LEU A 14
REMARK 465 VAL A 15
REMARK 465 PRO A 16
REMARK 465 ARG A 17
REMARK 465 GLY A 18
REMARK 465 SER A 19
REMARK 465 HIS A 20
REMARK 465 MET A 21
REMARK 465 ASN A 22
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
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 25 39.05 -72.98
REMARK 500 1 ILE A 29 166.15 -49.20
REMARK 500 1 GLU A 30 9.51 -58.09
REMARK 500 1 LYS A 35 -18.27 -175.17
REMARK 500 1 ALA A 59 31.48 -74.84
REMARK 500 1 ILE A 64 83.92 -59.02
REMARK 500 1 GLN A 66 -52.16 -136.17
REMARK 500 2 SER A 24 161.12 -41.25
REMARK 500 2 GLU A 30 36.73 22.05
REMARK 500 2 PRO A 34 -71.58 -53.86
REMARK 500 2 LYS A 35 -11.36 -150.59
REMARK 500 2 ALA A 59 33.47 -75.63
REMARK 500 2 PRO A 62 107.41 -50.01
REMARK 500 2 ILE A 64 84.10 -67.89
REMARK 500 2 SER A 65 -60.54 -109.24
REMARK 500 2 GLN A 66 -55.11 -134.31
REMARK 500 2 LEU A 76 -63.93 -144.69
REMARK 500 3 GLU A 30 75.42 -53.09
REMARK 500 3 PRO A 34 -76.07 -56.47
REMARK 500 3 LYS A 35 -24.87 -140.85
REMARK 500 3 PRO A 62 106.54 -41.40
REMARK 500 3 ILE A 64 82.78 -64.41
REMARK 500 3 GLN A 66 -56.07 175.86
REMARK 500 3 LEU A 76 -35.65 -135.02
REMARK 500 3 LYS A 77 -98.43 -66.14
REMARK 500 4 SER A 25 9.19 -152.64
REMARK 500 4 ILE A 29 81.81 -59.85
REMARK 500 4 PRO A 34 -78.70 -69.08
REMARK 500 4 LYS A 35 -6.28 -148.03
REMARK 500 4 ALA A 59 34.41 -79.62
REMARK 500 4 ILE A 64 82.67 -59.66
REMARK 500 4 GLN A 66 -56.31 -166.25
REMARK 500 4 LEU A 76 -84.93 -125.90
REMARK 500 4 LYS A 77 -77.98 -122.02
REMARK 500 5 SER A 25 22.52 -154.12
REMARK 500 5 ILE A 29 156.65 -49.41
REMARK 500 5 GLU A 30 83.22 -49.74
REMARK 500 5 LYS A 35 -19.72 -170.87
REMARK 500 5 ALA A 59 32.31 -75.60
REMARK 500 5 PRO A 62 -146.15 -46.13
REMARK 500 5 ILE A 64 83.94 -57.99
REMARK 500 5 SER A 65 -62.92 -120.35
REMARK 500 5 GLN A 66 -55.35 -127.55
REMARK 500 5 SER A 75 -74.77 -71.53
REMARK 500 5 LEU A 76 -70.46 -62.66
REMARK 500 5 LYS A 77 -87.18 -141.68
REMARK 500 6 SER A 24 147.86 -37.41
REMARK 500 6 SER A 25 -2.31 -59.15
REMARK 500 6 LEU A 26 -16.65 -45.86
REMARK 500 6 THR A 28 -28.93 -165.45
REMARK 500
REMARK 500 THIS ENTRY HAS 215 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1KFT A 22 78 UNP P07028 UVRC_ECOLI 554 610
SEQADV 1KFT MET A 1 UNP P07028 EXPRESSION TAG
SEQADV 1KFT GLY A 2 UNP P07028 EXPRESSION TAG
SEQADV 1KFT SER A 3 UNP P07028 EXPRESSION TAG
SEQADV 1KFT SER A 4 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 5 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 6 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 7 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 8 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 9 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 10 UNP P07028 EXPRESSION TAG
SEQADV 1KFT SER A 11 UNP P07028 EXPRESSION TAG
SEQADV 1KFT SER A 12 UNP P07028 EXPRESSION TAG
SEQADV 1KFT GLY A 13 UNP P07028 EXPRESSION TAG
SEQADV 1KFT LEU A 14 UNP P07028 EXPRESSION TAG
SEQADV 1KFT VAL A 15 UNP P07028 EXPRESSION TAG
SEQADV 1KFT PRO A 16 UNP P07028 EXPRESSION TAG
SEQADV 1KFT ARG A 17 UNP P07028 EXPRESSION TAG
SEQADV 1KFT GLY A 18 UNP P07028 EXPRESSION TAG
SEQADV 1KFT SER A 19 UNP P07028 EXPRESSION TAG
SEQADV 1KFT HIS A 20 UNP P07028 EXPRESSION TAG
SEQADV 1KFT MET A 21 UNP P07028 EXPRESSION TAG
SEQRES 1 A 78 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 78 LEU VAL PRO ARG GLY SER HIS MET ASN THR SER SER LEU
SEQRES 3 A 78 GLU THR ILE GLU GLY VAL GLY PRO LYS ARG ARG GLN MET
SEQRES 4 A 78 LEU LEU LYS TYR MET GLY GLY LEU GLN GLY LEU ARG ASN
SEQRES 5 A 78 ALA SER VAL GLU GLU ILE ALA LYS VAL PRO GLY ILE SER
SEQRES 6 A 78 GLN GLY LEU ALA GLU LYS ILE PHE TRP SER LEU LYS HIS
HELIX 1 1 SER A 24 ILE A 29 5 6
HELIX 2 2 LYS A 35 GLY A 45 1 11
HELIX 3 3 GLY A 46 ALA A 53 1 8
HELIX 4 4 SER A 54 ALA A 59 1 6
HELIX 5 5 GLN A 66 LYS A 77 1 12
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 - b 23 2 Bytes