Header list of 1n87.pdb file
Complete list - b 23 2 Bytes
HEADER LIGASE/CELL CYCLE 19-NOV-02 1N87
TITLE SOLUTION STRUCTURE OF THE U-BOX OF PRP19
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PRE-MRNA SPLICING FACTOR PRP19;
COMPND 3 CHAIN: A;
COMPND 4 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: PRP19;
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 UBIQUITIN LIGASE, E3 LIGASE, U-BOX, LIGASE-CELL CYCLE COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR W.J.CHAZIN,M.D.OHI,C.W.VANDER KOOI
REVDAT 5 23-FEB-22 1N87 1 REMARK
REVDAT 4 24-FEB-09 1N87 1 VERSN
REVDAT 3 13-SEP-05 1N87 1 AUTHOR
REVDAT 2 25-NOV-03 1N87 1 DBREF
REVDAT 1 15-APR-03 1N87 0
JRNL AUTH M.D.OHI,C.W.VANDER KOOI,J.A.ROSENBERG,W.J.CHAZIN,K.L.GOULD
JRNL TITL STRUCTURAL INSIGHTS INTO THE U-BOX, A DOMAIN ASSOCIATED WITH
JRNL TITL 2 MULTI-UBIQUITINATION
JRNL REF NAT.STRUCT.BIOL. V. 10 250 2003
JRNL REFN ISSN 1072-8368
JRNL PMID 12627222
JRNL DOI 10.1038/NSB906
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, AMBER 6.0
REMARK 3 AUTHORS : GUENTERT (DYANA), PEARLMAN (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1N87 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-NOV-02.
REMARK 100 THE DEPOSITION ID IS D_1000017640.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 0.28
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM PRP19(1-73); UL 20MM
REMARK 210 PHOSPHATE BUFFER PH 7.0; 20MM
REMARK 210 NACL; 1MM PRP19(1-73); U-15N
REMARK 210 20MM PHOSPHATE BUFFER PH 7.0;
REMARK 210 20MM NACL; 1MM PRP19(1-73); U-
REMARK 210 15N,13C 20MM PHOSPHATE BUFFER PH
REMARK 210 7.0; 20MM NACL; 1MM PRP19(1-73);
REMARK 210 U-15N,13C 20MM PHOSPHATE BUFFER
REMARK 210 PH 7.0; 20MM NACL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 7 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 9 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 11 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 17 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 18 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 19 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
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 ARG A 20 1.14 58.62
REMARK 500 1 ASN A 42 24.75 48.71
REMARK 500 1 LEU A 45 144.59 72.19
REMARK 500 1 SER A 46 -61.50 -143.32
REMARK 500 2 ASN A 42 25.17 47.42
REMARK 500 2 LEU A 45 133.92 71.79
REMARK 500 2 SER A 46 -45.03 -135.12
REMARK 500 3 SER A 6 -6.62 -140.19
REMARK 500 3 PRO A 10 109.99 -55.73
REMARK 500 3 ARG A 20 -3.94 64.30
REMARK 500 3 LEU A 45 147.70 70.10
REMARK 500 3 SER A 46 -48.47 -146.38
REMARK 500 4 PRO A 17 -8.06 -56.33
REMARK 500 4 ARG A 20 13.40 55.40
REMARK 500 4 PRO A 39 -8.29 -56.76
REMARK 500 4 ASN A 42 29.30 45.44
REMARK 500 4 LEU A 45 147.15 73.96
REMARK 500 4 SER A 46 -57.79 -145.89
REMARK 500 5 ARG A 20 11.25 59.86
REMARK 500 5 ILE A 40 -50.16 -129.15
REMARK 500 5 LEU A 45 139.87 69.25
REMARK 500 5 SER A 46 -55.12 -139.01
REMARK 500 6 ARG A 20 11.60 50.37
REMARK 500 6 LEU A 45 139.10 71.80
REMARK 500 6 SER A 46 -51.58 -137.36
REMARK 500 7 ARG A 20 4.50 55.61
REMARK 500 7 LEU A 45 128.27 66.33
REMARK 500 7 VAL A 54 98.57 -23.56
REMARK 500 8 ARG A 20 -1.53 63.60
REMARK 500 8 LEU A 45 149.14 65.10
REMARK 500 8 SER A 46 -54.18 -142.86
REMARK 500 8 ILE A 53 57.72 -96.60
REMARK 500 9 ARG A 20 7.97 56.23
REMARK 500 9 LEU A 45 132.69 72.00
REMARK 500 9 SER A 46 -46.71 -132.95
REMARK 500 10 LEU A 45 144.81 70.72
REMARK 500 10 SER A 46 -52.40 -145.09
REMARK 500 11 ARG A 20 17.66 47.92
REMARK 500 11 ASN A 42 21.33 49.68
REMARK 500 11 LEU A 45 141.43 70.86
REMARK 500 11 SER A 46 -53.86 -140.99
REMARK 500 12 ILE A 40 -52.34 -124.80
REMARK 500 12 ASN A 42 22.40 49.17
REMARK 500 12 LEU A 45 132.43 65.89
REMARK 500 12 SER A 46 -48.00 -131.96
REMARK 500 13 PRO A 17 -7.68 -52.46
REMARK 500 13 ASN A 42 19.78 51.70
REMARK 500 13 LEU A 45 143.16 66.00
REMARK 500 13 SER A 46 -41.14 -136.15
REMARK 500 14 ARG A 20 -2.00 63.38
REMARK 500
REMARK 500 THIS ENTRY HAS 77 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1N87 A 1 56 UNP P32523 PRP19_YEAST 1 56
SEQRES 1 A 56 MET LEU CYS ALA ILE SER GLY LYS VAL PRO ARG ARG PRO
SEQRES 2 A 56 VAL LEU SER PRO LYS SER ARG THR ILE PHE GLU LYS SER
SEQRES 3 A 56 LEU LEU GLU GLN TYR VAL LYS ASP THR GLY ASN ASP PRO
SEQRES 4 A 56 ILE THR ASN GLU PRO LEU SER ILE GLU GLU ILE VAL GLU
SEQRES 5 A 56 ILE VAL PRO SER
HELIX 1 1 LYS A 25 THR A 35 1 11
HELIX 2 2 SER A 46 ILE A 50 5 5
SHEET 1 A 3 PHE A 23 GLU A 24 0
SHEET 2 A 3 PRO A 13 LEU A 15 -1 N VAL A 14 O PHE A 23
SHEET 3 A 3 VAL A 51 GLU A 52 -1 O VAL A 51 N LEU A 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
MODEL 1
Complete list - b 23 2 Bytes