Header list of 1lwm.pdb file
Complete list - b 23 2 Bytes
HEADER DNA BINDING PROTEIN 31-MAY-02 1LWM
TITLE SOLUTION STRUCTURE OF THE SEQUENCE-NON-SPECIFIC HMGB PROTEIN NHP6A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NONHISTONE CHROMOSOMAL PROTEIN 6A;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: NHP6A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 GENE: NHP6A;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS HMG-BOX, HMGB, ALPHA HELIX, DNA BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.E.MASSE,B.WONG,Y.-M.YEN,F.H.-T.ALLAIN,R.C.JOHNSON,J.FEIGON
REVDAT 3 23-FEB-22 1LWM 1 REMARK
REVDAT 2 24-FEB-09 1LWM 1 VERSN
REVDAT 1 16-OCT-02 1LWM 0
JRNL AUTH J.E.MASSE,B.WONG,Y.-M.YEN,F.H.-T.ALLAIN,R.C.JOHNSON,J.FEIGON
JRNL TITL THE S. CEREVISIAE ARCHITECTURAL HMGB PROTEIN NHP6A COMPLEXED
JRNL TITL 2 WITH DNA: DNA AND PROTEIN CONFORMATIONAL CHANGES UPON
JRNL TITL 3 BINDING
JRNL REF J.MOL.BIOL. V. 323 263 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12381320
JRNL DOI 10.1016/S0022-2836(02)00938-5
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON THE SAME
REMARK 3 RESTRAINTS AS PREVIOUSLY USED IN THE 1999 STRUCTURE 1CG7, BUT
REMARK 3 DIFFERENT A-HELIX HYDROGEN BOND RESTRAINTS WERE INCLUDED. THESE
REMARK 3 ARE THE SAME AS THOSE USED TO CALCULATE THE STRUCTURE OF THE
REMARK 3 COMPLEX WITH SRY_DNA.
REMARK 4
REMARK 4 1LWM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUN-02.
REMARK 100 THE DEPOSITION ID IS D_1000016351.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : 10 MM NAPO4, 100 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 2MM 15N-LABELED NHP6A; 2MM
REMARK 210 13C/15N-LABELED NHP6A
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 2000, X-PLOR
REMARK 210 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE CALCULATED USING THE SAME DATA AS
REMARK 210 PREVIOUSLY USED IN THE 1999 STRUCTURE 1CG7 BUT USING NEW A-HELIX
REMARK 210 HYDROGEN BOND RESTRAINTS AND XPLOR INSTEAD OF DYANA.
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 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 3 93.97 58.17
REMARK 500 1 PRO A 7 97.02 -51.80
REMARK 500 1 LYS A 8 63.88 36.95
REMARK 500 1 ARG A 10 105.14 57.70
REMARK 500 1 THR A 11 67.61 -118.17
REMARK 500 1 PRO A 18 -174.86 -69.41
REMARK 500 1 ASN A 19 81.16 36.95
REMARK 500 1 ARG A 23 107.92 64.33
REMARK 500 1 ASN A 43 77.37 -162.19
REMARK 500 1 THR A 63 139.10 -35.13
REMARK 500 2 VAL A 2 -88.87 58.24
REMARK 500 2 ARG A 5 98.99 48.44
REMARK 500 2 GLU A 6 108.71 52.61
REMARK 500 2 ARG A 10 29.59 -143.40
REMARK 500 2 THR A 12 -162.76 -105.01
REMARK 500 2 LYS A 14 -77.32 -174.96
REMARK 500 2 ASP A 17 80.41 50.18
REMARK 500 2 PRO A 18 -160.47 -52.55
REMARK 500 2 ASN A 19 103.08 -50.32
REMARK 500 2 LYS A 22 -81.18 -100.71
REMARK 500 2 ARG A 23 110.06 -174.99
REMARK 500 2 ALA A 24 171.78 -43.66
REMARK 500 3 LYS A 8 -90.03 62.20
REMARK 500 3 THR A 12 98.49 -66.73
REMARK 500 3 ARG A 13 41.80 -99.27
REMARK 500 3 LYS A 14 -46.23 84.63
REMARK 500 3 LYS A 15 145.44 63.82
REMARK 500 3 PRO A 18 -164.24 -51.88
REMARK 500 3 ASN A 19 94.44 52.44
REMARK 500 3 ALA A 20 86.90 -177.59
REMARK 500 3 ALA A 24 -153.57 45.95
REMARK 500 3 ASN A 43 71.94 -151.29
REMARK 500 3 THR A 47 -167.72 -119.36
REMARK 500 3 THR A 63 139.68 -35.40
REMARK 500 4 VAL A 2 56.02 -108.22
REMARK 500 4 GLU A 6 152.71 177.78
REMARK 500 4 LYS A 8 33.19 70.07
REMARK 500 4 LYS A 9 132.13 170.70
REMARK 500 4 ARG A 10 99.82 -36.53
REMARK 500 4 ASP A 17 55.38 -159.30
REMARK 500 4 PRO A 18 -175.50 -69.84
REMARK 500 4 ASN A 19 79.43 43.24
REMARK 500 4 ALA A 20 58.31 -152.21
REMARK 500 4 LYS A 22 -71.22 -65.77
REMARK 500 4 ARG A 23 135.77 178.31
REMARK 500 4 ALA A 24 174.76 -45.80
REMARK 500 4 ASN A 43 75.55 -158.63
REMARK 500 4 THR A 63 114.99 -35.08
REMARK 500 5 VAL A 2 54.53 -112.62
REMARK 500 5 ARG A 5 76.79 40.97
REMARK 500
REMARK 500 THIS ENTRY HAS 221 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1CG7 RELATED DB: PDB
REMARK 900 FREE NHP6A PROTEIN STRUCTURE (1999)
REMARK 900 RELATED ID: 1J5N RELATED DB: PDB
REMARK 900 NHP6A/SRY_DNA COMPLEX
REMARK 900 RELATED ID: 1LWA RELATED DB: PDB
REMARK 900 FREE SRY_DNA STRUCTURE
DBREF 1LWM A 1 93 UNP P11632 NHP6A_YEAST 1 93
SEQRES 1 A 93 MET VAL THR PRO ARG GLU PRO LYS LYS ARG THR THR ARG
SEQRES 2 A 93 LYS LYS LYS ASP PRO ASN ALA PRO LYS ARG ALA LEU SER
SEQRES 3 A 93 ALA TYR MET PHE PHE ALA ASN GLU ASN ARG ASP ILE VAL
SEQRES 4 A 93 ARG SER GLU ASN PRO ASP ILE THR PHE GLY GLN VAL GLY
SEQRES 5 A 93 LYS LYS LEU GLY GLU LYS TRP LYS ALA LEU THR PRO GLU
SEQRES 6 A 93 GLU LYS GLN PRO TYR GLU ALA LYS ALA GLN ALA ASP LYS
SEQRES 7 A 93 LYS ARG TYR GLU SER GLU LYS GLU LEU TYR ASN ALA THR
SEQRES 8 A 93 LEU ALA
HELIX 1 1 SER A 26 ASN A 43 1 18
HELIX 2 2 THR A 47 ALA A 61 1 15
HELIX 3 3 THR A 63 ALA A 93 1 31
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