Header list of 1bq0.pdb file
Complete list - b 16 2 Bytes
HEADER CHAPERONE 20-AUG-98 1BQ0
TITLE J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL FRAGMENT
TITLE 2 (RESIDUES 1-104) OF THE MOLECULAR CHAPERONE DNAJ, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNAJ;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL FRAGMENT (RESIDUES 1-104);
COMPND 5 SYNONYM: HSP40;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: MGT7;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR: T7;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11D
KEYWDS CHAPERONE, HEAT SHOCK, PROTEIN FOLDING, DNAK
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.HUANG,J.M.FLANAGAN,J.H.PRESTEGARD
REVDAT 3 16-FEB-22 1BQ0 1 REMARK
REVDAT 2 24-FEB-09 1BQ0 1 VERSN
REVDAT 1 15-JUN-99 1BQ0 0
JRNL AUTH K.HUANG,J.M.FLANAGAN,J.H.PRESTEGARD
JRNL TITL THE INFLUENCE OF C-TERMINAL EXTENSION ON THE STRUCTURE OF
JRNL TITL 2 THE "J-DOMAIN" IN E. COLI DNAJ.
JRNL REF PROTEIN SCI. V. 8 203 1999
JRNL REFN ISSN 0961-8368
JRNL PMID 10210198
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.B.HILL,J.M.FLANAGAN,J.H.PRESTEGARD
REMARK 1 TITL 1H AND 15N MAGNETIC RESONANCE ASSIGNMENTS, SECONDARY
REMARK 1 TITL 2 STRUCTURE, AND TERTIARY FOLD OF ESCHERICHIA COLI DNAJ(1-78)
REMARK 1 REF BIOCHEMISTRY V. 34 5587 1995
REMARK 1 REFN ISSN 0006-2960
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS ARE IN THE PRIMARY
REMARK 3 JOURNAL REFERENCE
REMARK 4
REMARK 4 1BQ0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000171994.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 2MM, 10% D2O IN H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE PAPER *JRNL*
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; OMEGA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; GE
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DG/SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : ZERO VIOLATIONS/ENERGY (SEE
REMARK 210 PAPER *JRNL*)
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY ON 13C, 15N LABELED PROTEIN
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 1-20
REMARK 465 RES C SSSEQI
REMARK 465 MET A 78
REMARK 465 GLY A 79
REMARK 465 GLY A 80
REMARK 465 GLY A 81
REMARK 465 GLY A 82
REMARK 465 PHE A 83
REMARK 465 GLY A 84
REMARK 465 GLY A 85
REMARK 465 GLY A 86
REMARK 465 ALA A 87
REMARK 465 ASP A 88
REMARK 465 PHE A 89
REMARK 465 SER A 90
REMARK 465 ASP A 91
REMARK 465 ILE A 92
REMARK 465 PHE A 93
REMARK 465 GLY A 94
REMARK 465 ASP A 95
REMARK 465 VAL A 96
REMARK 465 PHE A 97
REMARK 465 GLY A 98
REMARK 465 ASP A 99
REMARK 465 ILE A 100
REMARK 465 PHE A 101
REMARK 465 GLY A 102
REMARK 465 GLY A 103
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 ALA A 28 H HIS A 32 1.45
REMARK 500 O ALA A 28 H TYR A 31 1.46
REMARK 500 O GLU A 19 H ALA A 23 1.47
REMARK 500 O GLU A 7 H GLY A 10 1.52
REMARK 500 O LYS A 45 H GLU A 48 1.53
REMARK 500 O LYS A 61 H TYR A 65 1.55
REMARK 500 O ALA A 44 H LYS A 47 1.57
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 ASP A 4 -171.95 -52.17
REMARK 500 1 TYR A 5 -29.67 -141.62
REMARK 500 1 VAL A 11 -142.90 -139.42
REMARK 500 1 LYS A 13 -38.10 77.35
REMARK 500 1 ALA A 15 -160.52 -55.66
REMARK 500 1 GLU A 16 -118.60 -145.26
REMARK 500 1 HIS A 32 94.86 -26.34
REMARK 500 1 ASN A 36 42.40 -94.88
REMARK 500 1 ASP A 39 -38.91 -133.77
REMARK 500 1 GLN A 67 -39.03 -142.46
REMARK 500 1 TYR A 68 42.98 -90.14
REMARK 500 2 ASP A 4 174.77 -48.30
REMARK 500 2 LYS A 13 23.17 40.70
REMARK 500 2 ALA A 15 -146.61 -88.23
REMARK 500 2 GLU A 16 -122.29 -149.78
REMARK 500 2 HIS A 32 160.19 -36.57
REMARK 500 2 PRO A 33 -152.33 -59.27
REMARK 500 2 ASP A 34 -63.56 69.82
REMARK 500 2 GLN A 37 67.29 76.81
REMARK 500 2 ASP A 39 -110.11 -154.25
REMARK 500 2 LYS A 40 -71.45 61.66
REMARK 500 2 ILE A 49 -69.47 -94.03
REMARK 500 2 TYR A 68 -98.61 -91.47
REMARK 500 2 HIS A 70 -114.13 -150.41
REMARK 500 2 PHE A 73 -56.15 -122.85
REMARK 500 2 GLU A 74 -79.29 62.45
REMARK 500 3 ASP A 4 -94.08 -83.35
REMARK 500 3 TYR A 5 -40.80 176.09
REMARK 500 3 VAL A 11 -154.45 -138.60
REMARK 500 3 LYS A 13 -41.83 74.98
REMARK 500 3 ALA A 15 -150.26 -56.84
REMARK 500 3 GLU A 16 -146.80 -150.35
REMARK 500 3 HIS A 32 164.34 -38.66
REMARK 500 3 PRO A 33 -157.26 -58.07
REMARK 500 3 ASP A 34 -69.13 68.74
REMARK 500 3 ASN A 36 -149.45 -106.39
REMARK 500 3 GLN A 37 69.46 -157.44
REMARK 500 3 ASP A 39 -94.32 -153.45
REMARK 500 3 LYS A 40 -71.39 58.97
REMARK 500 3 ILE A 49 -77.06 -100.94
REMARK 500 3 TYR A 68 -67.52 -102.74
REMARK 500 3 HIS A 70 -117.31 -157.21
REMARK 500 3 GLU A 74 51.77 -144.60
REMARK 500 4 LYS A 2 104.02 53.30
REMARK 500 4 ASP A 4 173.61 -45.61
REMARK 500 4 LYS A 13 -14.21 -44.01
REMARK 500 4 ALA A 15 -153.78 -87.67
REMARK 500 4 GLU A 16 -124.92 -151.21
REMARK 500 4 HIS A 32 90.25 -25.00
REMARK 500 4 ASP A 34 -39.61 -39.84
REMARK 500
REMARK 500 THIS ENTRY HAS 314 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 ARG A 18 0.32 SIDE CHAIN
REMARK 500 1 ARG A 21 0.29 SIDE CHAIN
REMARK 500 1 ARG A 26 0.20 SIDE CHAIN
REMARK 500 1 ARG A 35 0.26 SIDE CHAIN
REMARK 500 1 ARG A 62 0.23 SIDE CHAIN
REMARK 500 2 ARG A 18 0.25 SIDE CHAIN
REMARK 500 2 ARG A 26 0.23 SIDE CHAIN
REMARK 500 2 ARG A 35 0.08 SIDE CHAIN
REMARK 500 2 ARG A 62 0.17 SIDE CHAIN
REMARK 500 3 ARG A 18 0.24 SIDE CHAIN
REMARK 500 3 ARG A 21 0.22 SIDE CHAIN
REMARK 500 3 ARG A 26 0.27 SIDE CHAIN
REMARK 500 3 ARG A 35 0.32 SIDE CHAIN
REMARK 500 3 ARG A 62 0.31 SIDE CHAIN
REMARK 500 4 ARG A 18 0.14 SIDE CHAIN
REMARK 500 4 ARG A 21 0.27 SIDE CHAIN
REMARK 500 4 ARG A 26 0.30 SIDE CHAIN
REMARK 500 4 ARG A 35 0.19 SIDE CHAIN
REMARK 500 4 ARG A 62 0.29 SIDE CHAIN
REMARK 500 5 ARG A 18 0.28 SIDE CHAIN
REMARK 500 5 ARG A 21 0.22 SIDE CHAIN
REMARK 500 5 ARG A 26 0.27 SIDE CHAIN
REMARK 500 5 ARG A 35 0.13 SIDE CHAIN
REMARK 500 5 ARG A 62 0.29 SIDE CHAIN
REMARK 500 6 ARG A 26 0.20 SIDE CHAIN
REMARK 500 6 ARG A 62 0.15 SIDE CHAIN
REMARK 500 7 ARG A 18 0.23 SIDE CHAIN
REMARK 500 7 ARG A 21 0.09 SIDE CHAIN
REMARK 500 7 ARG A 26 0.29 SIDE CHAIN
REMARK 500 7 ARG A 35 0.14 SIDE CHAIN
REMARK 500 7 ARG A 62 0.19 SIDE CHAIN
REMARK 500 8 ARG A 18 0.29 SIDE CHAIN
REMARK 500 8 ARG A 21 0.30 SIDE CHAIN
REMARK 500 8 ARG A 26 0.28 SIDE CHAIN
REMARK 500 8 ARG A 35 0.32 SIDE CHAIN
REMARK 500 8 ARG A 62 0.14 SIDE CHAIN
REMARK 500 9 ARG A 18 0.32 SIDE CHAIN
REMARK 500 9 ARG A 21 0.29 SIDE CHAIN
REMARK 500 9 ARG A 26 0.32 SIDE CHAIN
REMARK 500 9 ARG A 35 0.29 SIDE CHAIN
REMARK 500 9 ARG A 62 0.20 SIDE CHAIN
REMARK 500 10 ARG A 18 0.32 SIDE CHAIN
REMARK 500 10 ARG A 21 0.30 SIDE CHAIN
REMARK 500 10 ARG A 26 0.25 SIDE CHAIN
REMARK 500 10 ARG A 35 0.25 SIDE CHAIN
REMARK 500 10 ARG A 62 0.18 SIDE CHAIN
REMARK 500 11 ARG A 18 0.28 SIDE CHAIN
REMARK 500 11 ARG A 21 0.24 SIDE CHAIN
REMARK 500 11 ARG A 26 0.32 SIDE CHAIN
REMARK 500 11 ARG A 35 0.25 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 95 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BQ0 A 1 103 UNP P08622 DNAJ_ECOLI 1 103
SEQRES 1 A 103 ALA LYS GLN ASP TYR TYR GLU ILE LEU GLY VAL SER LYS
SEQRES 2 A 103 THR ALA GLU GLU ARG GLU ILE ARG LYS ALA TYR LYS ARG
SEQRES 3 A 103 LEU ALA MET LYS TYR HIS PRO ASP ARG ASN GLN GLY ASP
SEQRES 4 A 103 LYS GLU ALA GLU ALA LYS PHE LYS GLU ILE LYS GLU ALA
SEQRES 5 A 103 TYR GLU VAL LEU THR ASP SER GLN LYS ARG ALA ALA TYR
SEQRES 6 A 103 ASP GLN TYR GLY HIS ALA ALA PHE GLU GLN GLY GLY MET
SEQRES 7 A 103 GLY GLY GLY GLY PHE GLY GLY GLY ALA ASP PHE SER ASP
SEQRES 8 A 103 ILE PHE GLY ASP VAL PHE GLY ASP ILE PHE GLY GLY
HELIX 1 1H TYR A 5 GLY A 10 1 6
HELIX 2 2H GLU A 16 TYR A 31 1 16
HELIX 3 3H GLU A 41 LEU A 56 1 16
HELIX 4 4H LYS A 61 TYR A 68 1 8
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 16 2 Bytes