HEADER CYTOKINE 26-AUG-92 1RCB COMPND INTERLEUKIN 4 SOURCE HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED SOURCE 2 IN (ESCHERICHIA COLI) AUTHOR A.WLODAWER,A.PAVLOVSKY,A.GUSTCHINA REVDAT 1 31-OCT-93 1RCB 0 JRNL AUTH A.WLODAWER,A.PAVLOVSKY,A.GUSTCHINA JRNL TITL CRYSTAL STRUCTURE OF HUMAN RECOMBINANT JRNL TITL 2 INTERLEUKIN-4 AT 2.25 ANGSTROMS RESOLUTION JRNL REF /FEBS$ LETT. V. 309 59 1992 JRNL REFN ASTM FEBLAL NE ISSN 0014-5793 165 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.25 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. INITIAL REFINEMENT BY THE PROCEDURE OF A. REMARK 3 BRUNGER (PROGRAM *X-PLOR*). FINAL REFINEMENT BY THE REMARK 3 RESTRAINED LEAST-SQUARES PROCEDURE OF J. KONNERT AND W. REMARK 3 HENDRICKSON (PROGRAM *PROLSQ*). THE R VALUE IS 0.218 FOR REMARK 3 8085 REFLECTIONS IN THE RESOLUTION RANGE 10 TO 2.25 REMARK 3 ANGSTROMS. REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES (THE VALUES OF REMARK 3 SIGMA, IN PARENTHESES, ARE THE INPUT ESTIMATED REMARK 3 STANDARD DEVIATIONS THAT DETERMINE THE RELATIVE REMARK 3 WEIGHTS OF THE CORRESPONDING RESTRAINTS) REMARK 3 DISTANCE RESTRAINTS (ANGSTROMS) REMARK 3 BOND DISTANCE 0.020(0.020) REMARK 3 ANGLE DISTANCE 0.056(0.030) REMARK 3 PLANAR 1-4 DISTANCE 0.082(0.050) REMARK 3 PLANE RESTRAINT (ANGSTROMS) 0.016(0.020) REMARK 3 CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.230(0.150) REMARK 3 NON-BONDED CONTACT RESTRAINTS (ANGSTROMS) REMARK 3 SINGLE TORSION CONTACT 0.227(0.300) REMARK 3 MULTIPLE TORSION CONTACT 0.305(0.300) REMARK 3 POSSIBLE HYDROGEN BOND 0.231(0.300) REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINT (DEGREES) REMARK 3 PLANAR (OMEGA) 5.1(7.5) REMARK 3 STAGGERED 25.0(10.0) REMARK 3 ORTHONORMAL 37.0(10.0) REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS (ANGSTROMS**2) REMARK 3 MAIN-CHAIN BOND 1.468(1.500) REMARK 3 MAIN-CHAIN ANGLE 3.329(2.000) REMARK 3 SIDE-CHAIN BOND 3.378(2.000) REMARK 3 SIDE-CHAIN ANGLE 5.539(3.000) REMARK 3 HYDROGEN BOND 11.935(10.00) SEQRES 1 129 HIS LYS CYS ASP ILE THR LEU GLN GLU ILE ILE LYS THR SEQRES 2 129 LEU ASN SER LEU THR GLU GLN LYS THR LEU CYS THR GLU SEQRES 3 129 LEU THR VAL THR ASP ILE PHE ALA ALA SER LYS ASN THR SEQRES 4 129 THR GLU LYS GLU THR PHE CYS ARG ALA ALA THR VAL LEU SEQRES 5 129 ARG GLN PHE TYR SER HIS HIS GLU LYS ASP THR ARG CYS SEQRES 6 129 LEU GLY ALA THR ALA GLN GLN PHE HIS ARG HIS LYS GLN SEQRES 7 129 LEU ILE ARG PHE LEU LYS ARG LEU ASP ARG ASN LEU TRP SEQRES 8 129 GLY LEU ALA GLY LEU ASN SER CYS PRO VAL LYS GLU ALA SEQRES 9 129 ASN GLN SER THR LEU GLU ASN PHE LEU GLU ARG LEU LYS SEQRES 10 129 THR ILE MET ARG GLU LYS TYR SER LYS CYS SER SER FTNOTE 1 FTNOTE 1 THE ELECTRON DENSITY FOR RESIDUES 38 - 40 IS POOR, AND THE FTNOTE 1 TRACING IN THAT REGION IS UNCERTAIN. FORMUL 2 HOH *33(H2 O1) HELIX 1 A ASP 4 GLU 19 1 HELIX 2 B THR 40 GLU 60 1 HELIX 3 C ALA 70 ALA 94 1 HELIX 4 D LEU 109 LYS 126 1 SHEET 1 A 2 LEU 27 ASP 31 0 SHEET 2 A 2 ASN 105 LEU 109 -1 O ASN 105 N ASP 31 SSBOND 1 CYS 3 CYS 127 SSBOND 2 CYS 24 CYS 65 SSBOND 3 CYS 46 CYS 99 CRYST1 91.800 91.800 46.400 90.00 90.00 90.00 P 41 21 2 8 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 0.010893 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010893 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021552 0.00000