HEADER UBIQUITIN CONJUGATION 08-APR-92 1AAK COMPND UBIQUITIN CONJUGATING ENZYME (E.C.6.3.2.19) SOURCE (ARABIDOPSIS THALIANA) AUTHOR W.J.COOK,L.C.JEFFREY,M.L.SULLIVAN,R.D.VIERSTRA REVDAT 1 31-OCT-93 1AAK 0 JRNL AUTH W.J.COOK,L.C.JEFFREY,M.L.SULLIVAN,R.D.VIERSTRA JRNL TITL THREE-DIMENSIONAL STRUCTURE OF A JRNL TITL 2 UBIQUITIN-CONJUGATING ENZYME (E2) JRNL REF J.BIOL.CHEM. V. 267 15116 1992 JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.4 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM 1 X-PLOR REMARK 3 AUTHORS 1 BRUNGER REMARK 3 PROGRAM 2 PROLSQ REMARK 3 AUTHORS 2 KONNERT,HENDRICKSON REMARK 3 R VALUE 0.22 REMARK 3 RMSD BOND DISTANCES 0.025 ANGSTROMS REMARK 3 RMSD BOND ANGLES 2.8 DEGREES REMARK 4 REMARK 4 CYS 88 BINDS A UBIQUITIN MOLECULE THROUGH A THIOLESTER BOND REMARK 4 WITH THE C TERMINUS OF UBIQUITIN. THIS IS PRESENTED AS REMARK 4 SITE *C88* ON *SITE* RECORDS BELOW. SEQRES 1 152 MET SER THR PRO ALA ARG LYS ARG LEU MET ARG ASP PHE SEQRES 2 152 LYS ARG LEU GLN GLN ASP PRO PRO ALA GLY ILE SER GLY SEQRES 3 152 ALA PRO GLN ASP ASN ASN ILE MET LEU TRP ASN ALA VAL SEQRES 4 152 ILE PHE GLY PRO ASP ASP THR PRO TRP ASP GLY GLY THR SEQRES 5 152 PHE LYS LEU SER LEU GLN PHE SER GLU ASP TYR PRO ASN SEQRES 6 152 LYS PRO PRO THR VAL ARG PHE VAL SER ARG MET PHE HIS SEQRES 7 152 PRO ASN ILE TYR ALA ASP GLY SER ILE CYS LEU ASP ILE SEQRES 8 152 LEU GLN ASN GLN TRP SER PRO ILE TYR ASP VAL ALA ALA SEQRES 9 152 ILE LEU THR SER ILE GLN SER LEU LEU CYS ASP PRO ASN SEQRES 10 152 PRO ASN SER PRO ALA ASN SER GLU ALA ALA ARG MET TYR SEQRES 11 152 SER GLU SER LYS ARG GLU TYR ASN ARG ARG VAL ARG ASP SEQRES 12 152 VAL VAL GLU GLN SER TRP THR ALA ASP FTNOTE 1 FTNOTE 1 RESIDUE PRO 64 IS A CIS PROLINE. FORMUL 2 HOH *6(H2 O1) HELIX 1 A ARG 8 PHE 13 1 HELIX 2 B LYS 14 LEU 16 5 HELIX 3 C VAL 102 CYS 114 1 HELIX 4 D SER 124 GLU 132 1 HELIX 5 E ARG 135 GLN 147 1 SHEET 1 A 4 ILE 24 GLN 29 0 SHEET 2 A 4 LEU 35 GLY 42 -1 SHEET 3 A 4 GLY 51 GLN 58 -1 SHEET 4 A 4 THR 69 PHE 72 -1 TURN 1 T1 ASP 62 ASN 65 TYPE VI TURN SITE 1 C88 1 CYS 88 CRYST1 41.800 44.900 83.200 90.00 90.00 90.00 P 21 21 21 4 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 0.023923 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022272 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012019 0.00000