Header list of 2arw.pdb file
Complete list - 26 20 Bytes
HEADER CYTOKINE 22-AUG-05 2ARW
TITLE THE SOLUTION STRUCTURE OF THE MEMBRANE PROXIMAL CYTOKINE RECEPTOR
TITLE 2 DOMAIN OF THE HUMAN INTERLEUKIN-6 RECEPTOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INTERLEUKIN-6 RECEPTOR ALPHA CHAIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: THIRD EXTRACELLULAR DOMAIN;
COMPND 5 SYNONYM: IL-6R-ALPHA, IL-6R 1, CD126 ANTIGEN;
COMPND 6 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;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSET 5B
KEYWDS FIBRONECTIN-TYPE III LIKE, CYTOKINE
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR O.HECHT,A.J.DINGLEY,A.SCHWANTNER,S.OZBEK,S.ROSE-JOHN,J.GROTZINGER
REVDAT 5 26-FEB-20 2ARW 1 REMARK SEQADV
REVDAT 4 21-APR-09 2ARW 1 REMARK
REVDAT 3 24-FEB-09 2ARW 1 VERSN
REVDAT 2 13-FEB-07 2ARW 1 JRNL
REVDAT 1 12-SEP-06 2ARW 0
JRNL AUTH O.HECHT,A.J.DINGLEY,A.SCHWANTER,S.OZBEK,S.ROSE-JOHN,
JRNL AUTH 2 J.GROTZINGER
JRNL TITL THE SOLUTION STRUCTURE OF THE MEMBRANE-PROXIMAL CYTOKINE
JRNL TITL 2 RECEPTOR DOMAIN OF THE HUMAN INTERLEUKIN-6 RECEPTOR
JRNL REF BIOL.CHEM. V. 387 1255 2006
JRNL REFN ISSN 1431-6730
JRNL PMID 16972794
JRNL DOI 10.1515/BC.2006.155
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT (DYANA), GUENTERT (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES IS BASED ON A TOTAL OF
REMARK 3 932 NOE-DERIVED DISTANCE RESTRAINTS
REMARK 4
REMARK 4 2ARW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-AUG-05.
REMARK 100 THE DEPOSITION ID IS D_1000034240.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 5.0
REMARK 210 IONIC STRENGTH : 50MM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 20MM PHOSPHATEBUFFER PH 5.0, 95%
REMARK 210 H2O, 5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : CBCA(CO)NH; CBCANH; HNCA; 3D_15N
REMARK 210 -SEPARATED_NOESY; HBHA(CBCACO)NH;
REMARK 210 3D_13C-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICSU
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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 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 PRO A 104
REMARK 465 TRP A 105
REMARK 465 THR A 106
REMARK 465 GLU A 107
REMARK 465 SER A 108
REMARK 465 ARG A 109
REMARK 465 SER A 110
REMARK 465 PRO A 111
REMARK 465 PRO A 112
REMARK 465 ALA A 113
REMARK 465 GLU A 114
REMARK 465 ASN A 115
REMARK 465 GLU A 116
REMARK 465 VAL A 117
REMARK 465 SER A 118
REMARK 465 THR A 119
REMARK 465 PRO A 120
REMARK 465 MET A 121
REMARK 465 GLN A 122
REMARK 465 ALA A 123
REMARK 465 LEU A 124
REMARK 465 THR A 125
REMARK 465 THR A 126
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 TYR A 47 CB - CG - CD2 ANGL. DEV. = -4.0 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 GLN A 5 92.48 -11.35
REMARK 500 ILE A 12 94.96 -60.98
REMARK 500 VAL A 17 144.70 58.73
REMARK 500 ARG A 19 -24.60 79.40
REMARK 500 ASN A 20 135.16 -38.20
REMARK 500 ASP A 30 152.01 -28.93
REMARK 500 PRO A 31 108.88 -58.22
REMARK 500 SER A 36 -18.53 69.61
REMARK 500 SER A 37 33.57 -70.13
REMARK 500 PHE A 38 -55.09 -168.72
REMARK 500 LEU A 45 41.58 -159.99
REMARK 500 ARG A 48 121.53 -175.44
REMARK 500 VAL A 60 85.00 -10.77
REMARK 500 LYS A 61 77.19 13.90
REMARK 500 ASP A 62 -62.08 78.37
REMARK 500 LEU A 63 104.75 178.55
REMARK 500 HIS A 65 20.29 -75.58
REMARK 500 HIS A 66 115.24 179.36
REMARK 500 CYS A 67 -159.91 -140.58
REMARK 500 ILE A 69 -26.09 -37.63
REMARK 500 HIS A 70 -37.62 46.68
REMARK 500 SER A 74 -128.36 -4.97
REMARK 500 GLN A 85 -120.23 -76.73
REMARK 500 GLU A 86 139.78 -174.19
REMARK 500 GLU A 87 38.38 -73.64
REMARK 500 PHE A 88 -26.79 177.66
REMARK 500 GLN A 90 -108.99 -91.74
REMARK 500 GLU A 92 149.91 -175.79
REMARK 500 TRP A 96 146.86 62.57
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 ARG A 19 0.14 SIDE CHAIN
REMARK 500 TYR A 47 0.09 SIDE CHAIN
REMARK 500 PHE A 55 0.10 SIDE CHAIN
REMARK 500 HIS A 78 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 ALA A 18 10.53
REMARK 500 THR A 56 14.83
REMARK 500 LEU A 63 10.96
REMARK 500 ALA A 84 11.72
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5940 RELATED DB: BMRB
DBREF 2ARW A 2 126 UNP P08887 IL6RA_HUMAN 212 336
SEQADV 2ARW MET A 1 UNP P08887 INITIATING METHIONINE
SEQRES 1 A 126 MET GLY ILE LEU GLN PRO ASP PRO PRO ALA ASN ILE THR
SEQRES 2 A 126 VAL THR ALA VAL ALA ARG ASN PRO ARG TRP LEU SER VAL
SEQRES 3 A 126 THR TRP GLN ASP PRO HIS SER TRP ASN SER SER PHE TYR
SEQRES 4 A 126 ARG LEU ARG PHE GLU LEU ARG TYR ARG ALA GLU ARG SER
SEQRES 5 A 126 LYS THR PHE THR THR TRP MET VAL LYS ASP LEU GLN HIS
SEQRES 6 A 126 HIS CYS VAL ILE HIS ASP ALA TRP SER GLY LEU ARG HIS
SEQRES 7 A 126 VAL VAL GLN LEU ARG ALA GLN GLU GLU PHE GLY GLN GLY
SEQRES 8 A 126 GLU TRP SER GLU TRP SER PRO GLU ALA MET GLY THR PRO
SEQRES 9 A 126 TRP THR GLU SER ARG SER PRO PRO ALA GLU ASN GLU VAL
SEQRES 10 A 126 SER THR PRO MET GLN ALA LEU THR THR
SHEET 1 A 3 ALA A 10 THR A 15 0
SHEET 2 A 3 SER A 25 GLN A 29 -1 O GLN A 29 N ALA A 10
SHEET 3 A 3 HIS A 66 VAL A 68 -1 O CYS A 67 N VAL A 26
SHEET 1 B 3 ARG A 46 ALA A 49 0
SHEET 2 B 3 HIS A 78 GLN A 81 -1 O GLN A 81 N ARG A 46
SHEET 3 B 3 GLU A 99 GLY A 102 -1 O GLY A 102 N HIS A 78
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 - 26 20 Bytes