HEADER HISTOCOMPATIBILITY ANTIGEN 28-JUL-92 1VAA 1VAA 2 COMPND MHC CLASS I H-2K==B== COMPLEXED WITH VESICULAR STOMATITIS 1VAA 3 COMPND 2 VIRUS NUCLEOPROTEIN (RESIDUES 52 - 59) (VSV-8) 1VAA 4 SOURCE H-2K==B==: MOUSE (MUS MUSCULUS, BALB/B) EXPRESSED IN 1VAA 5 SOURCE 2 DROSOPHILA CELL CULTURE; VSV-8: SYNTHETIC BASED ON THE 1VAA 6 SOURCE 3 SEQUENCE OF THE VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN 1VAAA 1 AUTHOR D.H.FREMONT,I.A.WILSON 1VAA 8 REVDAT 2 31-JUL-94 1VAAA 1 SOURCE 1VAAA 2 REVDAT 1 31-JAN-94 1VAA 0 1VAA 9 JRNL AUTH D.H.FREMONT,M.MATSUMURA,E.A.STURA,P.A.PETERSON, 1VAA 10 JRNL AUTH 2 I.A.WILSON 1VAA 11 JRNL TITL CRYSTAL STRUCTURES OF TWO VIRAL PEPTIDES IN 1VAA 12 JRNL TITL 2 COMPLEX WITH MURINE MHC CLASS I H-2KB 1VAA 13 JRNL REF SCIENCE V. 257 919 1992 1VAA 14 JRNL REFN ASTM SCIEAS US ISSN 0036-8075 038 1VAA 15 REMARK 1 1VAA 16 REMARK 1 REFERENCE 1 1VAA 17 REMARK 1 AUTH M.MATSUMURA,D.H.FREMONT,P.A.PETERSON,I.A.WILSON 1VAA 18 REMARK 1 TITL EMERGING PRINCIPLES FOR THE RECOGNITION OF 1VAA 19 REMARK 1 TITL 2 PEPTIDE ANTIGENS BY MHC CLASS I MOLECULES 1VAA 20 REMARK 1 REF SCIENCE V. 257 927 1992 1VAA 21 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 038 1VAA 22 REMARK 1 REFERENCE 2 1VAA 23 REMARK 1 AUTH E.A.STURA,M.MATSUMURA,D.H.FREMONT,Y.SAITO, 1VAA 24 REMARK 1 AUTH 2 P.A.PETERSON 1VAA 25 REMARK 1 TITL CRYSTALLIZATION OF MURINE MHC CLASS I H-2KB 1VAA 26 REMARK 1 TITL 2 PEPTIDE COMPLEXES 1VAA 27 REMARK 1 REF J.MOL.BIOL. V. 228 975 1992 1VAA 28 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1VAA 29 REMARK 2 1VAA 30 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. 1VAA 31 REMARK 3 1VAA 32 REMARK 3 REFINEMENT. 1VAA 33 REMARK 3 PROGRAM X-PLOR 1VAA 34 REMARK 3 AUTHORS BRUNGER 1VAA 35 REMARK 3 R VALUE 0.169 1VAA 36 REMARK 3 RMSD BOND DISTANCES 0.012 ANGSTROMS 1VAA 37 REMARK 3 RMSD BOND ANGLES 3.06 DEGREES 1VAA 38 REMARK 3 1VAA 39 REMARK 3 RESOLUTION RANGE 6.0 - 2.3 ANGSTROMS 1VAA 40 REMARK 3 DATA CUTOFF 2.0 SIGMA(I) 1VAA 41 REMARK 4 1VAA 42 REMARK 4 THE STRUCTURE CONTAINS THREE POLYPEPTIDE CHAINS. 1VAA 43 REMARK 4 1VAA 44 REMARK 4 H-2K==UB== HEAVY CHAIN IS IDENTIFIED AS CHAIN *A* IN THIS 1VAA 45 REMARK 4 ENTRY. THIS CHAIN IS DIVIDED INTO THREE DOMAINS: 1VAA 46 REMARK 4 ALPHA 1 - RESIDUES A 1 - A 90 1VAA 47 REMARK 4 ALPHA 2 - RESIDUES A 91 - A 182 1VAA 48 REMARK 4 ALPHA 3 - RESIDUES A 183 - A 274 1VAA 49 REMARK 4 1VAA 50 REMARK 4 BETA-2-MICROGLOBULIN IS IDENTIFIED AS CHAIN *B*. IT 1VAA 51 REMARK 4 CONSISTS OF RESIDUES B 1 - B 99. 1VAA 52 REMARK 4 1VAA 53 REMARK 4 VSV-8 PEPTIDE IS IDENTIFIED AS CHAIN *P*. IT CONSISTS OF 1VAA 54 REMARK 4 RESIDUES P 1 - P 8. 1VAA 55 REMARK 5 1VAA 56 REMARK 5 THE DENSITY FOR RESIDUES A 219 - A 227 AND A 273 - A 274 IS 1VAA 57 REMARK 5 EXTREMELY WEAK. 1VAA 58 REMARK 6 1VAAA 3 REMARK 6 CORRECTION. CORRECT SPELLING ERROR ON SOURCE RECORD. 1VAAA 4 REMARK 6 31-JUL-94. 1VAAA 5 SEQRES 1 A 274 GLY PRO HIS SER LEU ARG TYR PHE VAL THR ALA VAL SER 1VAA 59 SEQRES 2 A 274 ARG PRO GLY LEU GLY GLU PRO ARG TYR MET GLU VAL GLY 1VAA 60 SEQRES 3 A 274 TYR VAL ASP ASP THR GLU PHE VAL ARG PHE ASP SER ASP 1VAA 61 SEQRES 4 A 274 ALA GLU ASN PRO ARG TYR GLU PRO ARG ALA ARG TRP MET 1VAA 62 SEQRES 5 A 274 GLU GLN GLU GLY PRO GLU TYR TRP GLU ARG GLU THR GLN 1VAA 63 SEQRES 6 A 274 LYS ALA LYS GLY ASN GLU GLN SER PHE ARG VAL ASP LEU 1VAA 64 SEQRES 7 A 274 ARG THR LEU LEU GLY TYR TYR ASN GLN SER LYS GLY GLY 1VAA 65 SEQRES 8 A 274 SER HIS THR ILE GLN VAL ILE SER GLY CYS GLU VAL GLY 1VAA 66 SEQRES 9 A 274 SER ASP GLY ARG LEU LEU ARG GLY TYR GLN GLN TYR ALA 1VAA 67 SEQRES 10 A 274 TYR ASP GLY CYS ASP TYR ILE ALA LEU ASN GLU ASP LEU 1VAA 68 SEQRES 11 A 274 LYS THR TRP THR ALA ALA ASP MET ALA ALA LEU ILE THR 1VAA 69 SEQRES 12 A 274 LYS HIS LYS TRP GLU GLN ALA GLY GLU ALA GLU ARG LEU 1VAA 70 SEQRES 13 A 274 ARG ALA TYR LEU GLU GLY THR CYS VAL GLU TRP LEU ARG 1VAA 71 SEQRES 14 A 274 ARG TYR LEU LYS ASN GLY ASN ALA THR LEU LEU ARG THR 1VAA 72 SEQRES 15 A 274 ASP SER PRO LYS ALA HIS VAL THR HIS HIS SER ARG PRO 1VAA 73 SEQRES 16 A 274 GLU ASP LYS VAL THR LEU ARG CYS TRP ALA LEU GLY PHE 1VAA 74 SEQRES 17 A 274 TYR PRO ALA ASP ILE THR LEU THR TRP GLN LEU ASN GLY 1VAA 75 SEQRES 18 A 274 GLU GLU LEU ILE GLN ASP MET GLU LEU VAL GLU THR ARG 1VAA 76 SEQRES 19 A 274 PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA SER VAL 1VAA 77 SEQRES 20 A 274 VAL VAL PRO LEU GLY LYS GLU GLN TYR TYR THR CYS HIS 1VAA 78 SEQRES 21 A 274 VAL TYR HIS GLN GLY LEU PRO GLU PRO LEU THR LEU ARG 1VAA 79 SEQRES 22 A 274 TRP 1VAA 80 SEQRES 1 B 99 ILE GLN LYS THR PRO GLN ILE GLN VAL TYR SER ARG HIS 1VAA 81 SEQRES 2 B 99 PRO PRO GLU ASN GLY LYS PRO ASN ILE LEU ASN CYS TYR 1VAA 82 SEQRES 3 B 99 VAL THR GLN PHE HIS PRO PRO HIS ILE GLU ILE GLN MET 1VAA 83 SEQRES 4 B 99 LEU LYS ASN GLY LYS LYS ILE PRO LYS VAL GLU MET SER 1VAA 84 SEQRES 5 B 99 ASP MET SER PHE SER LYS ASP TRP SER PHE TYR ILE LEU 1VAA 85 SEQRES 6 B 99 ALA HIS THR GLU PHE THR PRO THR GLU THR ASP THR TYR 1VAA 86 SEQRES 7 B 99 ALA CYS ARG VAL LYS HIS ASP SER MET ALA GLU PRO LYS 1VAA 87 SEQRES 8 B 99 THR VAL TYR TRP ASP ARG ASP MET 1VAA 88 SEQRES 1 P 8 ARG GLY TYR VAL TYR GLN GLY LEU 1VAA 89 FTNOTE 1 1VAA 90 FTNOTE 1 RESIDUES PRO A 210 AND PRO B 32 ARE CIS PROLINES. 1VAA 91 FTNOTE 2 1VAA 92 FTNOTE 2 HIS A 145 AND HIS B 34 BOTH APPEAR TO ADOPT MORE THAN ONE 1VAA 93 FTNOTE 2 CONFORMATION. 1VAA 94 FORMUL 4 HOH *114(H2 O1) 1VAA 95 SSBOND 1 CYS A 101 CYS A 164 1VAA 96 SSBOND 2 CYS A 203 CYS A 259 1VAA 97 SSBOND 3 CYS B 25 CYS B 80 1VAA 98 CRYST1 138.100 88.900 45.700 90.00 90.00 90.00 P 21 21 2 4 1VAA 99 ORIGX1 1.000000 0.000000 0.000000 0.00000 1VAA 100 ORIGX2 0.000000 1.000000 0.000000 0.00000 1VAA 101 ORIGX3 0.000000 0.000000 1.000000 0.00000 1VAA 102 SCALE1 0.007241 0.000000 0.000000 0.00000 1VAA 103 SCALE2 0.000000 0.011249 0.000000 0.00000 1VAA 104 SCALE3 0.000000 0.000000 0.021882 0.00000 1VAA 105