HEADER IMMUNOGLOBULIN BINDING PROTEIN 23-NOV-93 1PGB 1PGB 2 COMPND PROTEIN G (B1 IGG-BINDING DOMAIN) 1PGB 3 SOURCE (STREPTOCOCCUS, LANCEFIELD GROUP G) STRAIN GX7809 1PGB 4 SOURCE 2 RECOMBINANT FORM 1PGB 5 AUTHOR T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND 1PGB 6 REVDAT 1 30-APR-94 1PGB 0 1PGB 7 JRNL AUTH T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND 1PGB 8 JRNL TITL TWO CRYSTAL STRUCTURES OF THE B1 1PGB 9 JRNL TITL 2 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCCOCAL 1PGB 10 JRNL TITL 3 PROTEIN G AND COMPARISON WITH NMR 1PGB 11 JRNL REF TO BE PUBLISHED 1PGB 12 JRNL REFN 353 1PGB 13 REMARK 1 1PGB 14 REMARK 1 REFERENCE 1 1PGB 15 REMARK 1 AUTH A.ACHARI,S.P.HALE,A.J.HOWARD,G.M.CLORE, 1PGB 16 REMARK 1 AUTH 2 A.M.GRONENBORN,K.D.HARDMAN,M.WHITLOW 1PGB 17 REMARK 1 TITL 1.67 ANGSTROMS X-RAY STRUCTURE OF THE B2 1PGB 18 REMARK 1 TITL 2 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCCOCAL 1PGB 19 REMARK 1 TITL 3 PROTEIN G AND COMPARISON TO THE NMR STRUCTURE OF 1PGB 20 REMARK 1 TITL 4 THE B1 DOMAIN 1PGB 21 REMARK 1 REF BIOCHEMISTRY V. 31 10449 1992 1PGB 22 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 033 1PGB 23 REMARK 1 REFERENCE 2 1PGB 24 REMARK 1 AUTH A.M.GRONENBORN,D.R.FILPULA,N.Z.ESSIG,A.ACHARI, 1PGB 25 REMARK 1 AUTH 2 M.WHITLOW,P.T.WINGFIELD,G.M.CLORE 1PGB 26 REMARK 1 TITL A NOVEL, HIGHLY STABLE FOLD OF THE IMMUNOGLOBULIN 1PGB 27 REMARK 1 TITL 2 BINDING DOMAIN OF STREPTOCOCCAL PROTEIN G 1PGB 28 REMARK 1 REF SCIENCE V. 253 657 1991 1PGB 29 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 038 1PGB 30 REMARK 2 1PGB 31 REMARK 2 RESOLUTION. 1.92 ANGSTROMS. 1PGB 32 REMARK 3 1PGB 33 REMARK 3 REFINEMENT. 1PGB 34 REMARK 3 PROGRAM 1 PROLSQ 1PGB 35 REMARK 3 AUTHORS 1 KONNERT,HENDRICKSON 1PGB 36 REMARK 3 PROGRAM 2 X-PLOR 1PGB 37 REMARK 3 AUTHORS 2 BRUNGER 1PGB 38 REMARK 3 R VALUE 0.198 1PGB 39 REMARK 3 RMSD BOND DISTANCES 0.020 ANGSTROMS 1PGB 40 REMARK 3 RMSD BOND ANGLES 2.045 DEGREES 1PGB 41 REMARK 3 1PGB 42 REMARK 3 NUMBER OF REFLECTIONS 4493 1PGB 43 REMARK 3 RESOLUTION RANGE 6.0 - 1.92 ANGSTROMS 1PGB 44 REMARK 3 DATA CUTOFF 1.0 SIGMA(I) 1PGB 45 REMARK 3 PERCENT COMPLETION 93.0 1PGB 46 REMARK 3 1PGB 47 REMARK 3 NUMBER OF PROTEIN ATOMS 436 1PGB 48 REMARK 3 NUMBER OF SOLVENT ATOMS 24 1PGB 49 SEQRES 1 56 MET THR TYR LYS LEU ILE LEU ASN GLY LYS THR LEU LYS 1PGB 50 SEQRES 2 56 GLY GLU THR THR THR GLU ALA VAL ASP ALA ALA THR ALA 1PGB 51 SEQRES 3 56 GLU LYS VAL PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL 1PGB 52 SEQRES 4 56 ASP GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE 1PGB 53 SEQRES 5 56 THR VAL THR GLU 1PGB 54 FORMUL 2 HOH *24(H2 O1) 1PGB 55 HELIX 1 1 ALA 23 ASP 36 1 1PGB 56 SHEET 1 S1 4 LEU 12 ALA 20 0 1PGB 57 SHEET 2 S1 4 MET 1 GLY 9 -1 1PGB 58 SHEET 3 S1 4 LYS 50 GLU 56 1 1PGB 59 SHEET 4 S1 4 GLU 42 ASP 46 -1 1PGB 60 TURN 1 T1 GLY 9 LEU 12 H-BOND ABSENT 9-12 1PGB 61 TURN 2 T2 ASP 47 LYS 50 LYS 50 IN L-HELIX CONFORMATION 1PGB 62 CRYST1 36.633 36.633 79.254 90.00 90.00 120.00 P 31 2 1 6 1PGB 63 ORIGX1 1.000000 0.000000 0.000000 0.00000 1PGB 64 ORIGX2 0.000000 1.000000 0.000000 0.00000 1PGB 65 ORIGX3 0.000000 0.000000 1.000000 0.00000 1PGB 66 SCALE1 0.027298 0.015760 0.000000 0.00000 1PGB 67 SCALE2 0.000000 0.031521 0.000000 0.00000 1PGB 68 SCALE3 0.000000 0.000000 0.012618 0.00000 1PGB 69