Header list of 1ryu.pdb file
Complete list - r 2 2 Bytes
HEADER DNA BINDING PROTEIN 22-DEC-03 1RYU
TITLE SOLUTION STRUCTURE OF THE SWI1 ARID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SWI/SNF-RELATED, MATRIX-ASSOCIATED, ACTIN-DEPENDENT
COMPND 3 REGULATOR OF CHROMATIN SUBFAMILY F MEMBER 1;
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: SWI1 ARID (RESIDUES 617-736);
COMPND 6 SYNONYM: SWI-SNF COMPLEX PROTEIN P270, B120;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A
KEYWDS ARID, SWI1, STRUCTURAL GENOMICS, PROTEIN-DNA INTERACTION, DNA BINDING
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 8
MDLTYP MINIMIZED AVERAGE
AUTHOR S.KIM,Z.ZHANG,S.UPCHURCH,N.ISERN,Y.CHEN
REVDAT 3 02-MAR-22 1RYU 1 REMARK
REVDAT 2 24-FEB-09 1RYU 1 VERSN
REVDAT 1 25-MAY-04 1RYU 0
JRNL AUTH S.KIM,Z.ZHANG,S.UPCHURCH,N.ISERN,Y.CHEN
JRNL TITL STRUCTURE AND DNA-BINDING SITES OF THE SWI1 AT-RICH
JRNL TITL 2 INTERACTION DOMAIN (ARID) SUGGEST DETERMINANTS FOR
JRNL TITL 3 SEQUENCE-SPECIFIC DNA RECOGNITION.
JRNL REF J.BIOL.CHEM. V. 279 16670 2004
JRNL REFN ISSN 0021-9258
JRNL PMID 14722072
JRNL DOI 10.1074/JBC.M312115200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA 1.2
REMARK 3 AUTHORS : JENS LINGE, SEAN O'DONOGHUE, MICHAEL NILGES
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1RYU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-DEC-03.
REMARK 100 THE DEPOSITION ID IS D_1000021160.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 100MM PHOSPHATE BUFFER
REMARK 210 PRESSURE : 1 ATMOSPHERE
REMARK 210 SAMPLE CONTENTS : APPROXIMATELY 1MM N15/C13
REMARK 210 LABELED PROTEIN IN 100MM
REMARK 210 PHOSPHATE BUFFER, PH 6.0 AND 5MM
REMARK 210 DTT, 100% D2O; APPROXIMATELY 1MM
REMARK 210 N15/C13 LABELED PROTEIN IN 100MM
REMARK 210 PHOSPHATE BUFFER, PH 6.0 AND 5MM
REMARK 210 DTT, 90%H2O/10%D2O;
REMARK 210 APPROXIMATELY 1MM N15 LABELED
REMARK 210 PROTEIN IN 100MM PHOSPHATE
REMARK 210 BUFFER, PH 6.0 AND 5MM DTT, 90%
REMARK 210 H2O/10%D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; HCCH
REMARK 210 -TOCSY; HNCACB, C(CO)NH, HNCO,
REMARK 210 HN(CA)CO, H(CCO)NH; 3D_15N-
REMARK 210 SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 6.1, FELIX 98,2000, DYANA
REMARK 210 1.5
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 8
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
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: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 3 TYR A 56 CE1 TYR A 56 CZ 0.097
REMARK 500 3 TYR A 56 CZ TYR A 56 CE2 -0.102
REMARK 500 7 TYR A 56 CE1 TYR A 56 CZ 0.107
REMARK 500 7 TYR A 56 CZ TYR A 56 CE2 -0.113
REMARK 500 8 TYR A 56 CE1 TYR A 56 CZ 0.114
REMARK 500 8 TYR A 56 CZ TYR A 56 CE2 -0.118
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 SER A 2 -77.83 -54.96
REMARK 500 1 THR A 3 -172.95 56.42
REMARK 500 1 ASN A 6 3.49 -67.11
REMARK 500 1 THR A 10 -24.78 -158.44
REMARK 500 1 GLU A 14 98.99 -162.46
REMARK 500 1 LEU A 42 -52.67 -140.27
REMARK 500 1 PRO A 43 29.81 -79.10
REMARK 500 1 ARG A 47 -94.66 -80.32
REMARK 500 1 PRO A 49 -127.59 -66.86
REMARK 500 1 LYS A 70 5.78 -152.29
REMARK 500 1 ASN A 82 93.94 54.01
REMARK 500 1 SER A 86 -78.41 -69.49
REMARK 500 1 SER A 87 -57.39 -156.19
REMARK 500 1 LEU A 101 -123.44 -91.72
REMARK 500 1 TYR A 102 -88.41 56.64
REMARK 500 1 ILE A 108 -22.61 -140.75
REMARK 500 1 PRO A 114 102.39 -23.46
REMARK 500 1 PRO A 115 96.46 -29.85
REMARK 500 1 PRO A 116 64.44 -68.95
REMARK 500 1 ASP A 117 18.75 51.58
REMARK 500 1 ILE A 118 83.99 -55.09
REMARK 500 1 PHE A 119 18.62 57.86
REMARK 500 2 SER A 2 -44.31 -137.87
REMARK 500 2 THR A 3 91.18 49.90
REMARK 500 2 THR A 10 -3.90 -169.31
REMARK 500 2 GLU A 14 -74.22 -116.50
REMARK 500 2 LEU A 15 -80.97 63.32
REMARK 500 2 THR A 40 -162.61 -100.48
REMARK 500 2 LEU A 42 -56.48 -133.72
REMARK 500 2 PRO A 43 32.62 -69.67
REMARK 500 2 ARG A 47 -123.53 -70.91
REMARK 500 2 PRO A 49 -101.74 -54.15
REMARK 500 2 ASP A 51 46.83 -76.66
REMARK 500 2 THR A 85 -73.15 68.18
REMARK 500 2 SER A 86 -94.84 20.61
REMARK 500 2 SER A 87 -47.04 -159.78
REMARK 500 2 LEU A 101 38.35 -164.45
REMARK 500 2 ASP A 113 -54.70 -133.60
REMARK 500 2 ASP A 117 -63.07 -176.32
REMARK 500 2 ILE A 118 -167.90 45.13
REMARK 500 3 THR A 10 5.77 -169.29
REMARK 500 3 LEU A 15 -75.87 -114.12
REMARK 500 3 ALA A 36 17.66 59.72
REMARK 500 3 THR A 40 -157.55 -97.86
REMARK 500 3 ARG A 47 -92.09 -110.46
REMARK 500 3 PRO A 49 -102.13 -57.12
REMARK 500 3 THR A 85 -148.25 -135.69
REMARK 500 3 SER A 86 91.93 -45.30
REMARK 500 3 SER A 87 -158.75 179.18
REMARK 500 3 ASP A 113 94.82 59.30
REMARK 500
REMARK 500 THIS ENTRY HAS 123 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 6 TYR A 13 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1RYU A 1 120 UNP O14497 ARI1A_HUMAN 617 736
SEQRES 1 A 120 SER SER THR THR THR ASN GLU LYS ILE THR LYS LEU TYR
SEQRES 2 A 120 GLU LEU GLY GLY GLU PRO GLU ARG LYS MET TRP VAL ASP
SEQRES 3 A 120 ARG TYR LEU ALA PHE THR GLU GLU LYS ALA MET GLY MET
SEQRES 4 A 120 THR ASN LEU PRO ALA VAL GLY ARG LYS PRO LEU ASP LEU
SEQRES 5 A 120 TYR ARG LEU TYR VAL SER VAL LYS GLU ILE GLY GLY LEU
SEQRES 6 A 120 THR GLN VAL ASN LYS ASN LYS LYS TRP ARG GLU LEU ALA
SEQRES 7 A 120 THR ASN LEU ASN VAL GLY THR SER SER SER ALA ALA SER
SEQRES 8 A 120 SER LEU LYS LYS GLN TYR ILE GLN CYS LEU TYR ALA PHE
SEQRES 9 A 120 GLU CYS LYS ILE GLU ARG GLY GLU ASP PRO PRO PRO ASP
SEQRES 10 A 120 ILE PHE ALA
HELIX 1 1 THR A 10 GLU A 14 5 5
HELIX 2 2 GLU A 18 LYS A 35 1 18
HELIX 3 3 ASP A 51 GLY A 63 1 13
HELIX 4 4 THR A 66 LYS A 70 5 5
HELIX 5 5 LYS A 72 LEU A 81 1 10
HELIX 6 6 SER A 87 LEU A 101 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
MODEL 1
Complete list - r 2 2 Bytes