Header list of 1f43.pdb file
Complete list - b 16 2 Bytes
HEADER TRANSCRIPTION 07-JUN-00 1F43
TITLE SOLUTION STRUCTURE OF THE MATA1 HOMEODOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MATING-TYPE PROTEIN A-1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HOMEODOMAIN, C-TERMINAL DOMAIN (66-126);
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 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PCW/AL66-126
KEYWDS HOMEODOMAIN, HELIX-TURN-HELIX, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.S.ANDERSON,M.FORMAN,S.MODLESKI,F.W.DAHLQUIST,S.M.BAXTER
REVDAT 5 16-FEB-22 1F43 1 REMARK
REVDAT 4 24-FEB-09 1F43 1 VERSN
REVDAT 3 01-APR-03 1F43 1 JRNL
REVDAT 2 27-SEP-00 1F43 1 JRNL
REVDAT 1 26-JUL-00 1F43 0
JRNL AUTH J.S.ANDERSON,M.D.FORMAN,S.MODLESKI,F.W.DAHLQUIST,S.M.BAXTER
JRNL TITL COOPERATIVE ORDERING IN HOMEODOMAIN-DNA RECOGNITION:
JRNL TITL 2 SOLUTION STRUCTURE AND DYNAMICS OF THE MATA1 HOMEODOMAIN.
JRNL REF BIOCHEMISTRY V. 39 10045 2000
JRNL REFN ISSN 0006-2960
JRNL PMID 10955992
JRNL DOI 10.1021/BI000677Z
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.3, X-PLOR 3.851
REMARK 3 AUTHORS : BRUKER INSTRUMENTS (XWINNMR), A. BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURE IS BASED ON A TOTAL OF 1178 NOE-DERIVED DISTANCE
REMARK 3 CONSTRAINTS,
REMARK 3 38 DIHEDRAL ANGLE CONSTRAINTS, AND 42 HYDROGEN BOND RESTRAINTS.
REMARK 4
REMARK 4 1F43 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JUN-00.
REMARK 100 THE DEPOSITION ID IS D_1000011217.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 298; 298
REMARK 210 PH : 4.5; 4.5; 4.5
REMARK 210 IONIC STRENGTH : 100 MM KCL; 100 MM KCL; 100 MM
REMARK 210 KCL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5 MM MATA1(66-126) U-15N,13C
REMARK 210 25 MM DEUTERATED ACETATE, PH 4.5,
REMARK 210 100 MM KCL, 0.01% NAN3; 90% H2O,
REMARK 210 10% D2O; 1.5 MM MATA1 (66-126)
REMARK 210 U-15N 25 MM DEUTERATED ACETATE,
REMARK 210 PH 4.5, 100 MM KCL, 0.01% NAN3;
REMARK 210 90% H2O, 10% D2O; 1.5 MM MATA1
REMARK 210 (66-126) 25 MM DEUTERATED
REMARK 210 ACETATE, PH 4.5, 100 MM KCL,
REMARK 210 0.01% NAN3; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; HNHA;
REMARK 210 HNCA-J; 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 970
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 17
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 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 ASN A 27 H LYS A 31 1.52
REMARK 500 O GLN A 11 H PHE A 15 1.54
REMARK 500 O GLN A 44 H TRP A 48 1.55
REMARK 500 O GLU A 30 H VAL A 34 1.55
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 LYS A -2 104.70 61.29
REMARK 500 1 GLU A -1 -74.06 -97.48
REMARK 500 1 LYS A 0 103.52 -165.47
REMARK 500 1 SER A 1 90.67 -162.49
REMARK 500 1 SER A 6 -78.59 64.71
REMARK 500 1 SER A 9 -177.49 -54.31
REMARK 500 1 LYS A 23 -147.57 -170.16
REMARK 500 1 GLN A 24 -51.96 -140.41
REMARK 500 1 ILE A 40 -163.91 -109.97
REMARK 500 1 VAL A 45 -32.61 -36.67
REMARK 500 1 ARG A 53 33.20 -179.84
REMARK 500 1 MET A 54 88.33 -52.92
REMARK 500 2 SER A 1 -61.99 -175.78
REMARK 500 2 SER A 6 -80.92 -67.71
REMARK 500 2 SER A 7 -167.04 47.42
REMARK 500 2 SER A 9 -176.68 -55.15
REMARK 500 2 LYS A 23 -145.79 -169.95
REMARK 500 2 GLN A 24 -50.04 -144.59
REMARK 500 2 ILE A 40 -164.04 -112.55
REMARK 500 2 VAL A 45 -32.82 -36.32
REMARK 500 2 ARG A 53 31.27 -177.50
REMARK 500 2 MET A 54 86.25 -53.54
REMARK 500 3 SER A 1 161.67 58.97
REMARK 500 3 PRO A 2 84.16 -57.96
REMARK 500 3 LYS A 3 146.88 -170.19
REMARK 500 3 LYS A 5 -58.13 -141.46
REMARK 500 3 SER A 7 -69.15 -123.62
REMARK 500 3 SER A 9 -175.45 -54.97
REMARK 500 3 LYS A 23 -147.87 -163.33
REMARK 500 3 GLN A 24 -49.43 -139.05
REMARK 500 3 ILE A 40 -162.59 -109.78
REMARK 500 3 VAL A 45 -33.25 -36.27
REMARK 500 3 ARG A 53 32.35 -170.57
REMARK 500 3 MET A 54 84.15 -53.51
REMARK 500 3 SER A 56 -169.34 -125.80
REMARK 500 4 LYS A -2 36.25 -98.60
REMARK 500 4 GLU A -1 -169.15 -169.78
REMARK 500 4 LYS A 0 99.49 61.84
REMARK 500 4 LYS A 3 126.42 63.35
REMARK 500 4 SER A 9 -176.90 -53.64
REMARK 500 4 LYS A 23 -138.93 -163.19
REMARK 500 4 GLN A 24 -46.50 -147.90
REMARK 500 4 ILE A 40 -163.26 -107.05
REMARK 500 4 VAL A 45 -33.89 -36.25
REMARK 500 4 ARG A 53 36.37 -178.14
REMARK 500 4 MET A 54 69.10 -61.87
REMARK 500 5 LYS A -2 -78.97 63.50
REMARK 500 5 LYS A 0 59.82 -108.95
REMARK 500 5 SER A 7 161.83 61.83
REMARK 500 5 SER A 9 -176.74 -54.21
REMARK 500
REMARK 500 THIS ENTRY HAS 210 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1YRN RELATED DB: PDB
REMARK 900 1YRN CONTAINS THE SAME PROTEIN COMPLEXED WITH MATALPHA2 HOMEODOMAIN
REMARK 900 AND DNA
DBREF 1F43 A -3 57 UNP P01366 MATA1_YEAST 66 126
SEQRES 1 A 61 LYS LYS GLU LYS SER PRO LYS GLY LYS SER SER ILE SER
SEQRES 2 A 61 PRO GLN ALA ARG ALA PHE LEU GLU GLN VAL PHE ARG ARG
SEQRES 3 A 61 LYS GLN SER LEU ASN SER LYS GLU LYS GLU GLU VAL ALA
SEQRES 4 A 61 LYS LYS CYS GLY ILE THR PRO LEU GLN VAL ARG VAL TRP
SEQRES 5 A 61 PHE ILE ASN LYS ARG MET ARG SER LYS
HELIX 1 1 PRO A 10 LYS A 23 1 14
HELIX 2 2 ASN A 27 GLY A 39 1 13
HELIX 3 3 LEU A 43 LYS A 52 1 10
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