Header list of 1ga3.pdb file
Complete list - g 9 2 Bytes
HEADER CYTOKINE 29-NOV-00 1GA3
TITLE NMR STRUCTURE OF INTERLEUKIN-13
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INTERLEUKIN-13;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: IL-13, IL13;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: IL13, NC30;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMAL-IL-13
KEYWDS CYTOKINE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR E.Z.EISENMESSER,D.A.HORITA,A.S.ALTIERI,R.A.BYRD
REVDAT 5 14-JUN-23 1GA3 1 REMARK
REVDAT 4 26-FEB-20 1GA3 1 COMPND SOURCE KEYWDS REMARK
REVDAT 4 2 1 DBREF SEQADV HELIX SHEET
REVDAT 4 3 1 ATOM
REVDAT 3 25-DEC-19 1GA3 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1GA3 1 VERSN
REVDAT 1 04-JUL-01 1GA3 0
JRNL AUTH E.Z.EISENMESSER,D.A.HORITA,A.S.ALTIERI,R.A.BYRD
JRNL TITL SOLUTION STRUCTURE OF INTERLEUKIN-13 AND INSIGHTS INTO
JRNL TITL 2 RECEPTOR ENGAGEMENT
JRNL REF J.MOL.BIOL. V. 310 231 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11419949
JRNL DOI 10.1006/JMBI.2001.4765
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH E.Z.EISENMESSER,D.A.HORITA,R.A.BYRD
REMARK 1 TITL SECONDARY STRUCTURE AND BACKBONE RESONANCE ASSIGNMENTS FOR
REMARK 1 TITL 2 HUMAN INTERLEUKIN-13
REMARK 1 REF J.BIOMOL.NMR V. 19 93 2001
REMARK 1 REFN ISSN 0925-2738
REMARK 1 DOI 10.1023/A:1008336103603
REMARK 1 REFERENCE 2
REMARK 1 AUTH E.Z.EISENMESSER,R.B.KAPUST,J.P.NAWROCKI,D.S.WAUGH,R.A.BYRD,
REMARK 1 AUTH 2 M.J.MAZZULLA,L.K.PANNELL
REMARK 1 TITL EXPRESSION, PURIFICATION, REFOLDING, AND CHARACTERIZATION OF
REMARK 1 TITL 2 RECOMBINANT HUMAN INTERLEUKIN-13: UTILIZATION OF
REMARK 1 TITL 3 INTRACELLULAR PROCESSING
REMARK 1 REF PROTEIN EXPR.PURIF. V. 20 186 2000
REMARK 1 REFN ISSN 1046-5928
REMARK 1 DOI 10.1006/PREP.2000.1283
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA
REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1GA3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-DEC-00.
REMARK 100 THE DEPOSITION ID IS D_1000012422.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.1
REMARK 210 IONIC STRENGTH : 50MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM [U-100% 13C; U-100% 15N] IL
REMARK 210 -13, 25 MM PHOSPHATE BUFFER, 50
REMARK 210 MM SODIUM CHLORIDE, 1 MM EDTA,
REMARK 210 95% H2O/5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; HNCACB;
REMARK 210 CACBCONH; 4D CC-NOESY; 4D CN-
REMARK 210 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 : NMRPIPE, ANSIG, CNS, ARIA
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: USING 3D AND 4D NMR.
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: 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 PRO A 3 -171.18 -54.20
REMARK 500 1 GLN A 24 179.25 -53.30
REMARK 500 1 PRO A 27 -167.95 -78.46
REMARK 500 1 CYS A 29 -82.59 68.44
REMARK 500 1 ASN A 30 28.07 -147.34
REMARK 500 1 SER A 36 148.87 -38.88
REMARK 500 1 ASN A 38 55.55 -113.87
REMARK 500 1 LEU A 39 -19.87 -43.76
REMARK 500 1 ALA A 41 -85.93 -151.61
REMARK 500 1 CYS A 57 -68.53 -135.56
REMARK 500 1 GLU A 61 -37.56 -35.62
REMARK 500 1 CYS A 71 106.70 -46.01
REMARK 500 1 HIS A 73 -165.77 170.39
REMARK 500 1 SER A 76 -136.40 -115.11
REMARK 500 1 GLN A 79 47.90 -168.02
REMARK 500 1 SER A 81 30.51 -147.74
REMARK 500 1 ASP A 87 -83.10 -144.95
REMARK 500 1 LEU A 101 -70.51 -56.84
REMARK 500 1 ARG A 111 42.21 -108.92
REMARK 500 2 VAL A 4 134.49 62.17
REMARK 500 2 GLN A 24 171.94 -54.08
REMARK 500 2 CYS A 29 -78.92 64.92
REMARK 500 2 ASN A 30 31.12 -150.26
REMARK 500 2 SER A 36 146.34 -39.26
REMARK 500 2 ASN A 38 50.63 -118.44
REMARK 500 2 LEU A 39 -31.38 -35.26
REMARK 500 2 CYS A 57 -73.27 -135.08
REMARK 500 2 CYS A 71 106.38 -46.56
REMARK 500 2 HIS A 73 -171.26 167.71
REMARK 500 2 VAL A 75 98.12 -166.48
REMARK 500 2 SER A 76 -135.62 -105.17
REMARK 500 2 SER A 81 -175.25 -59.15
REMARK 500 2 HIS A 84 37.68 -176.74
REMARK 500 2 VAL A 85 67.78 -166.22
REMARK 500 2 ASP A 87 -80.59 -123.58
REMARK 500 2 ARG A 111 48.07 23.45
REMARK 500 3 GLN A 24 179.46 -57.25
REMARK 500 3 ALA A 26 152.33 -47.67
REMARK 500 3 SER A 32 108.32 -164.73
REMARK 500 3 SER A 36 173.49 70.46
REMARK 500 3 ASN A 38 73.88 -117.62
REMARK 500 3 THR A 40 -53.99 -165.29
REMARK 500 3 CYS A 57 -75.27 -139.70
REMARK 500 3 SER A 58 -50.00 75.23
REMARK 500 3 PRO A 72 49.27 -82.43
REMARK 500 3 HIS A 73 -162.99 177.49
REMARK 500 3 SER A 76 -136.16 -115.40
REMARK 500 3 SER A 81 126.35 -176.31
REMARK 500 3 SER A 82 -78.57 -59.67
REMARK 500 3 VAL A 85 96.61 -168.60
REMARK 500
REMARK 500 THIS ENTRY HAS 383 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4843 RELATED DB: BMRB
REMARK 900 NMR STRUCTURE OF INTERLEUKIN-13
DBREF 1GA3 A 2 113 UNP P35225 IL13_HUMAN 35 146
SEQADV 1GA3 GLY A 1 UNP P35225 EXPRESSION TAG
SEQRES 1 A 113 GLY GLY PRO VAL PRO PRO SER THR ALA LEU ARG GLU LEU
SEQRES 2 A 113 ILE GLU GLU LEU VAL ASN ILE THR GLN ASN GLN LYS ALA
SEQRES 3 A 113 PRO LEU CYS ASN GLY SER MET VAL TRP SER ILE ASN LEU
SEQRES 4 A 113 THR ALA GLY MET TYR CYS ALA ALA LEU GLU SER LEU ILE
SEQRES 5 A 113 ASN VAL SER GLY CYS SER ALA ILE GLU LYS THR GLN ARG
SEQRES 6 A 113 MET LEU SER GLY PHE CYS PRO HIS LYS VAL SER ALA GLY
SEQRES 7 A 113 GLN PHE SER SER LEU HIS VAL ARG ASP THR LYS ILE GLU
SEQRES 8 A 113 VAL ALA GLN PHE VAL LYS ASP LEU LEU LEU HIS LEU LYS
SEQRES 9 A 113 LYS LEU PHE ARG GLU GLY ARG PHE ASN
HELIX 1 AA1 SER A 7 GLN A 22 1 16
HELIX 2 AA2 MET A 43 ILE A 52 1 10
HELIX 3 AA3 ILE A 60 GLY A 69 1 10
HELIX 4 AA4 GLU A 91 GLY A 110 1 20
SHEET 1 AA1 2 VAL A 34 TRP A 35 0
SHEET 2 AA1 2 LYS A 89 ILE A 90 -1 O ILE A 90 N VAL A 34
SSBOND 1 CYS A 29 CYS A 57 1555 1555 2.03
SSBOND 2 CYS A 45 CYS A 71 1555 1555 2.03
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 - g 9 2 Bytes