Header list of 1ow5.pdb file
Complete list - 23 202 Bytes
HEADER TRANSFERASE 28-MAR-03 1OW5
TITLE NMR STRUCTURE OF THE SACCHAROMYCES CEREVISIAE SAM (STERILE ALPHA
TITLE 2 MOTIF) DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE STE11;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SAM DOMAIN (RESIDUES 36-113);
COMPND 5 SYNONYM: STE11 MAPKKK SAM DOMAIN;
COMPND 6 EC: 2.7.1.-;
COMPND 7 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: STE11P;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS MAP KINASE, MAPKKK, SAM DOMAIN, POINTED DOMAIN, SCM DOMAIN, STE50
KEYWDS 2 REGULATOR, TRANSFERASE
EXPDTA SOLUTION NMR
AUTHOR L.W.DONALDSON
REVDAT 4 23-FEB-22 1OW5 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1OW5 1 VERSN
REVDAT 2 11-JAN-05 1OW5 1 JRNL
REVDAT 1 06-APR-04 1OW5 0
JRNL AUTH J.J.KWAN,N.WARNER,T.PAWSON,L.W.DONALDSON
JRNL TITL THE SOLUTION STRUCTURE OF THE S.CEREVISIAE STE11 MAPKKK SAM
JRNL TITL 2 DOMAIN AND ITS PARTNERSHIP WITH STE50.
JRNL REF J.MOL.BIOL. V. 342 681 2004
JRNL REFN ISSN 0022-2836
JRNL PMID 15327964
JRNL DOI 10.1016/J.JMB.2004.06.064
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.1, X-PLOR NIH
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), BRUNGER, CLORE (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 971 NOE RESTRAINTS FROM A SIMULTANEOUS
REMARK 3 13C/15N NOESY IN 10% D2O, 69 NOE RESTRAINTS FROM A 2D NOESY IN
REMARK 3 99% D2O, 48 HYDROGEN BONDS RESTRAINTS AND 59 PAIRS OF PHI/PSI
REMARK 3 DIHEDRAL RESTRAINTS FROM CHEMICAL SHIFTS USING THE TALOS METHOD
REMARK 4
REMARK 4 1OW5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018726.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 500 MM SODIUM CHLORIDE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8 MM STE11 SAM DOMAIN, U
REMARK 210 -15N,13C
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 13C/15N SIMULTANEOUS 3D NOESY;
REMARK 210 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR NIH, NMRVIEW 5.0
REMARK 210 METHOD USED : SIMULATED ANNEALING FROM AN
REMARK 210 EXTENDED STARTING STRUCTURE
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 500
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 3D
REMARK 210 HETERONUCLEAR TECHNIQUES. ASSIGNMENTS WERE DERIVED FROM HNCACB,
REMARK 210 CBCACONH, CBHD, CBHE, HCCH-TOCSY, HCC-TOCSY AND CCC-TOCSY
REMARK 210 EXPERIMENTS
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 RES C SSSEQI
REMARK 465 GLY A 8
REMARK 465 HIS A 9
REMARK 465 HIS A 10
REMARK 465 HIS A 11
REMARK 465 HIS A 12
REMARK 465 HIS A 13
REMARK 465 HIS A 14
REMARK 465 GLY A 15
REMARK 465 ASP A 16
REMARK 465 GLU A 17
REMARK 465 LYS A 18
REMARK 465 THR A 19
REMARK 465 ASN A 20
REMARK 465 ASP A 21
REMARK 465 LEU A 22
REMARK 465 ARG A 83
REMARK 465 ASP A 84
REMARK 465 LYS A 85
REMARK 465 ARG A 86
REMARK 465 ILE A 87
REMARK 465 GLU A 88
REMARK 465 GLN A 89
REMARK 465 VAL A 90
REMARK 465 ASN A 91
REMARK 465 ARG A 92
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 LYS A 77 HG SER A 80 1.34
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1OW5 A 15 92 UNP P23561 STE11_YEAST 36 113
SEQADV 1OW5 GLY A 8 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 9 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 10 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 11 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 12 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 13 UNP P23561 EXPRESSION TAG
SEQADV 1OW5 HIS A 14 UNP P23561 EXPRESSION TAG
SEQRES 1 A 85 GLY HIS HIS HIS HIS HIS HIS GLY ASP GLU LYS THR ASN
SEQRES 2 A 85 ASP LEU PRO PHE VAL GLN LEU PHE LEU GLU GLU ILE GLY
SEQRES 3 A 85 CYS THR GLN TYR LEU ASP SER PHE ILE GLN CYS ASN LEU
SEQRES 4 A 85 VAL THR GLU GLU GLU ILE LYS TYR LEU ASP LYS ASP ILE
SEQRES 5 A 85 LEU ILE ALA LEU GLY VAL ASN LYS ILE GLY ASP ARG LEU
SEQRES 6 A 85 LYS ILE LEU ARG LYS SER LYS SER PHE GLN ARG ASP LYS
SEQRES 7 A 85 ARG ILE GLU GLN VAL ASN ARG
HELIX 1 1 PRO A 23 GLY A 33 1 11
HELIX 2 2 THR A 35 ASN A 45 1 11
HELIX 3 3 THR A 48 LEU A 55 1 8
HELIX 4 4 ASP A 56 GLY A 64 1 9
HELIX 5 5 LYS A 67 PHE A 81 1 15
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
Complete list - 23 202 Bytes