HEADER HYDROLASE(SERINE PROTEINASE) 10-APR-89 1HNE 1HNE 3 COMPND HUMAN NEUTROPHIL ELASTASE (/HNE$) (E.C.3.4.21.37) (ALSO 1HNE 4 COMPND 2 REFERRED TO AS HUMAN LEUCOCYTE ELASTASE (/HLE$)) COMPLEX 1HNE 5 COMPND 3 WITH METHOXYSUCCINYL-*ALA-*ALA-*PRO-*ALA CHLOROMETHYL 1HNE 6 COMPND 4 KETONE (/MSACK$) 1HNE 7 SOURCE HUMAN (HOMO $SAPIENS) NEUTROPHILS ISOLATED FROM PURULENT 1HNE 8 SOURCE 2 SPUTUM 1HNE 9 AUTHOR M.A.NAVIA,B.M.MC*KEEVER,J.P.SPRINGER,T.-*Y.LIN,H.R.WILLIAMS, 1HNE 10 AUTHOR 2 E.M.FLUDER,C.P.DORN,K.HOOGSTEEN 1HNE 11 REVDAT 1 15-OCT-89 1HNE 0 1HNE 12 JRNL AUTH M.A.NAVIA,B.M.MC*KEEVER,J.P.SPRINGER,T.-*Y.LIN, 1HNE 13 JRNL AUTH 2 H.R.WILLIAMS,E.M.FLUDER,C.P.DORN,K.HOOGSTEEN 1HNE 14 JRNL TITL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE IN COMPLEX 1HNE 15 JRNL TITL 2 WITH A PEPTIDE CHLOROMETHYL KETONE INHIBITOR AT 1HNE 16 JRNL TITL 3 1.84-*ANGSTROMS RESOLUTION 1HNE 17 JRNL REF PROC.NAT.ACAD.SCI.USA V. 86 7 1989 1HNE 18 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 040 1HNE 19 REMARK 1 1HNE 20 REMARK 1 REFERENCE 1 1HNE 21 REMARK 1 AUTH H.R.WILLIAMS,T.-*Y.LIN,M.A.NAVIA,J.P.SPRINGER, 1HNE 22 REMARK 1 AUTH 2 B.M.MC*KEEVER,K.HOOGSTEEN,C.P.DORN *JUNIOR 1HNE 23 REMARK 1 TITL CRYSTALLIZATION OF HUMAN NEUTROPHIL ELASTASE 1HNE 24 REMARK 1 REF J.BIOL.CHEM. V. 262 17178 1987 1HNE 25 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 1HNE 26 REMARK 2 1HNE 27 REMARK 2 RESOLUTION. 1.84 ANGSTROMS. 1HNE 28 REMARK 3 1HNE 29 REMARK 3 REFINEMENT. BY THE RESTRAINED LEAST SQUARES PROCEDURE OF J. 1HNE 30 REMARK 3 KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE R 1HNE 31 REMARK 3 VALUE IS 0.164. THE RMS DEVIATION FROM IDEALITY OF THE 1HNE 32 REMARK 3 BOND LENGTHS IS 0.019 ANGSTROMS. THE RMS DEVIATION FROM 1HNE 33 REMARK 3 IDEALITY OF THE BOND ANGLE DISTANCES IS 0.038 ANGSTROMS. 1HNE 34 REMARK 4 1HNE 35 REMARK 4 BECAUSE THE CARBOHYDRATE SEQUENCE IS NOT KNOWN, NO 1HNE 36 REMARK 4 COORDINATES ARE INCLUDED IN THIS ENTRY FOR CARBOHYDRATE 1HNE 37 REMARK 4 ALTHOUGH DENSITY IS VISIBLE IN THE ELECTRON DENSITY MAPS. 1HNE 38 REMARK 5 1HNE 39 REMARK 5 ELASTASE HAS BEEN ASSIGNED CHAIN INDICATOR *E* AND THE 1HNE 40 REMARK 5 INHIBITOR HAS BEEN ASSIGNED CHAIN INDICATOR *I*. 1HNE 41 SEQRES 1 E 218 ILE VAL GLY GLY ARG ARG ALA ARG PRO HIS ALA TRP PRO 1HNE 42 SEQRES 2 E 218 PHE MET VAL SER LEU GLN LEU ARG GLY GLY HIS PHE CYS 1HNE 43 SEQRES 3 E 218 GLY ALA THR LEU ILE ALA PRO ASN PHE VAL MET SER ALA 1HNE 44 SEQRES 4 E 218 ALA HIS CYS VAL ALA ASN VAL ASN VAL ARG ALA VAL ARG 1HNE 45 SEQRES 5 E 218 VAL VAL LEU GLY ALA HIS ASN LEU SER ARG ARG GLU PRO 1HNE 46 SEQRES 6 E 218 THR ARG GLN VAL PHE ALA VAL GLN ARG ILE PHE GLU ASP 1HNE 47 SEQRES 7 E 218 GLY TYR ASP PRO VAL ASN LEU LEU ASN ASP ILE VAL ILE 1HNE 48 SEQRES 8 E 218 LEU GLN LEU ASN GLY SER ALA THR ILE ASN ALA ASN VAL 1HNE 49 SEQRES 9 E 218 GLN VAL ALA GLN LEU PRO ALA GLN GLY ARG ARG LEU GLY 1HNE 50 SEQRES 10 E 218 ASN GLY VAL GLN CYS LEU ALA MET GLY TRP GLY LEU LEU 1HNE 51 SEQRES 11 E 218 GLY ARG ASN ARG GLY ILE ALA SER VAL LEU GLN GLU LEU 1HNE 52 SEQRES 12 E 218 ASN VAL THR VAL VAL THR SER LEU CYS ARG ARG SER ASN 1HNE 53 SEQRES 13 E 218 VAL CYS THR LEU VAL ARG GLY ARG GLN ALA GLY VAL CYS 1HNE 54 SEQRES 14 E 218 PHE GLY ASP SER GLY SER PRO LEU VAL CYS ASN GLY LEU 1HNE 55 SEQRES 15 E 218 ILE HIS GLY ILE ALA SER PHE VAL ARG GLY GLY CYS ALA 1HNE 56 SEQRES 16 E 218 SER GLY LEU TYR PRO ASP ALA PHE ALA PRO VAL ALA GLN 1HNE 57 SEQRES 17 E 218 PHE VAL ASN TRP ILE ASP SER ILE ILE GLN 1HNE 58 SEQRES 1 I 5 MSU ALA ALA PRO ALM 1HNE 59 HET MSU I 1 8 METHOXYSUCCINYL 1HNE 60 HET ALM I 5 6 ALANINE,METHYLENE C BOUND TO CARBOXY C. 1HNE 61 FORMUL 2 MSU C5 H8 O4 1HNE 62 FORMUL 2 ALM C4 H9 N1 O1 1HNE 63 FORMUL 3 HOH *225(H2 O1) 1HNE 64 CRYST1 74.530 74.530 70.880 90.00 90.00 120.00 P 63 1 1HNE 65 ORIGX1 0.013417 0.007747 0.000000 0.00000 1HNE 66 ORIGX2 0.000000 0.015493 0.000000 0.00000 1HNE 67 ORIGX3 0.000000 0.000000 0.014108 0.00000 1HNE 68 SCALE1 0.013417 0.007747 0.000000 0.00000 1HNE 69 SCALE2 0.000000 0.015493 0.000000 0.00000 1HNE 70 SCALE3 0.000000 0.000000 0.014108 0.00000 1HNE 71