| content |
HEADER HYDROLASE(CARBOXYLIC ESTERASE) 30-OCT-91 5TGL 5TGL 2
COMPND LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) COMPLEXED 5TGL 3
COMPND 2 WITH N-HEXYLPHOSPHONATE ETHYL ESTER 5TGL 4
SOURCE (RHIZOMUCOR MIEHEI) 5TGL 5
AUTHOR A.M.BRZOZOWSKI,U.DEREWENDA,Z.S.DEREWENDA,G.G.DODSON, 5TGL 6
AUTHOR 2 D.LAWSON,J.P.TURKENBURG,F.BJORKLING,B.HUGE-JENSEN, 5TGL 7
AUTHOR 3 S.R.PATKAR,L.THIM 5TGL 8
REVDAT 1 31-JAN-94 5TGL 0 5TGL 9
JRNL AUTH A.M.BRZOZOWSKI,U.DEREWENDA,Z.S.DEREWENDA, 5TGL 10
JRNL AUTH 2 G.G.DODSON,D.M.LAWSON,J.P.TURKENBURG,F.BJORKLING, 5TGL 11
JRNL AUTH 3 B.HUGE-*JENSEN,S.R.PATKAR,L.THIM 5TGL 12
JRNL TITL A MODEL FOR INTERFACIAL ACTIVATION IN LIPASES FROM 5TGL 13
JRNL TITL 2 THE STRUCTURE OF A FUNGAL LIPASE-INHIBITOR COMPLEX 5TGL 14
JRNL REF NATURE V. 351 491 1991 5TGL 15
JRNL REFN ASTM NATUAS UK ISSN 0028-0836 006 5TGL 16
REMARK 1 5TGL 17
REMARK 1 REFERENCE 1 5TGL 18
REMARK 1 AUTH L.BRADY,A.M.BRZOZOWSKI,Z.S.DEREWENDA,E.J.DODSON, 5TGL 19
REMARK 1 AUTH 2 G.DODSON,S.TOLLEY,J.P.TURKENBURG,L.CHRISTIANSEN, 5TGL 20
REMARK 1 AUTH 3 B.HUGE-JENSEN,L.NORSKOV,L.THIM,U.MENGE 5TGL 21
REMARK 1 TITL A SERINE PROTEASE TRIAD FORMS THE CATALYTIC CENTRE 5TGL 22
REMARK 1 TITL 2 OF A TRIACYLGLYCEROL LIPASE 5TGL 23
REMARK 1 REF NATURE V. 343 767 1990 5TGL 24
REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 5TGL 25
REMARK 1 REFERENCE 2 5TGL 26
REMARK 1 AUTH E.BOEL,B.HUGE-JENSEN,M.CHRISTENSEN,L.THIM, 5TGL 27
REMARK 1 AUTH 2 N.P.FIIL 5TGL 28
REMARK 1 TITL RHIZOMUCOR $MIEHEI TRIGLYCERIDE LIPASE IS 5TGL 29
REMARK 1 TITL 2 SYNTHESIZED AS A PRECURSOR 5TGL 30
REMARK 1 REF LIPIDS V. 23 701 1988 5TGL 31
REMARK 1 REFN ASTM LPDSAP US ISSN 0024-4201 820 5TGL 32
REMARK 2 5TGL 33
REMARK 2 RESOLUTION. 3.0 ANGSTROMS. 5TGL 34
REMARK 3 5TGL 35
REMARK 3 REFINEMENT. 5TGL 36
REMARK 3 PROGRAM 1 PROLSQ 5TGL 37
REMARK 3 AUTHORS 1 KONNERT,HENDRICKSON 5TGL 38
REMARK 3 PROGRAM 2 X-PLOR 5TGL 39
REMARK 3 AUTHORS 2 BRUNGER 5TGL 40
REMARK 3 R VALUE 0.185 5TGL 41
REMARK 3 5TGL 42
REMARK 3 PLEASE NOTE THAT INHIBITOR AND SOLVENT ATOMS WERE 5TGL 43
REMARK 3 NOT INCLUDED IN THE REFINEMENT. 5TGL 44
REMARK 4 5TGL 45
REMARK 4 CA COORDINATES ONLY ARE PRESENTED IN THIS ENTRY. A FULL 5TGL 46
REMARK 4 SET OF COORDINATES WILL BE SUBMITTED AT A LATER STAGE. 5TGL 47
REMARK 4 THE FIRST FOUR RESIDUES ARE NOT VISIBLE IN THE MAPS AND, 5TGL 48
REMARK 4 THEREFORE, NO CARBON ALPHA COORDINATES FOR THEM ARE 5TGL 49
REMARK 4 PRESENT IN THIS ENTRY. THERE ARE 269 RESIDUES, IN TOTAL, 5TGL 50
REMARK 4 IN A SINGLE CHAIN. 5TGL 51
REMARK 5 5TGL 52
REMARK 5 RESIDUE 156 IN THIS ENTRY IS ASP AS IDENTIFIED BY ELECTRON 5TGL 53
REMARK 5 DENSITY. IN THE PAPER CITED AS REFERENCE 1 ABOVE IT WAS 5TGL 54
REMARK 5 INCORRECTLY ASSIGNED AS GLY. 5TGL 55
REMARK 6 5TGL 56
REMARK 6 SITE *CAT* IS THE CATALYTIC SITE. 5TGL 57
REMARK 7 5TGL 58
REMARK 7 THERE ARE SOME ERRORS IN THE SEQUENCE DUE TO UNCERTAINTY IN 5TGL 59
REMARK 7 THE ORIENTATION OF SIDE CHAINS. THESE DIFFERENCES ARE 5TGL 60
REMARK 7 MINOR AND IN NO WAY COMPROMISE THE OVERALL QUALITY OF THE 5TGL 61
REMARK 7 STRUCTURE OR THE SUITABILITY FOR MODELING OR MOLECULAR 5TGL 62
REMARK 7 REPLACEMENT. 5TGL 63
REMARK 7 5TGL 64
REMARK 7 SEQUENCE ADVISORY NOTICE: 5TGL 65
REMARK 7 DIFFERENCE BETWEEN PIR AND PDB SEQUENCE. 5TGL 66
REMARK 7 5TGL 67
REMARK 7 PIR ENTRY NAME: A34959 5TGL 68
REMARK 7 5TGL 69
REMARK 7 PIR RESIDUE PDB SEQRES 5TGL 70
REMARK 7 NAME NUMBER NAME CHAIN SEQ/INSERT CODE 5TGL 71
REMARK 7 ASP 181 ASN 181 5TGL 72
REMARK 7 GLU 220 SER 220 5TGL 73
SEQRES 1 269 SER ILE ASP GLY GLY ILE ARG ALA ALA THR SER GLN GLU 5TGL 74
SEQRES 2 269 ILE ASN GLU LEU THR TYR TYR THR THR LEU SER ALA ASN 5TGL 75
SEQRES 3 269 SER TYR CYS ARG THR VAL ILE PRO GLY ALA THR TRP ASP 5TGL 76
SEQRES 4 269 CYS ILE HIS CYS ASP ALA THR GLU ASP LEU LYS ILE ILE 5TGL 77
SEQRES 5 269 LYS THR TRP SER THR LEU ILE TYR ASP THR ASN ALA MET 5TGL 78
SEQRES 6 269 VAL ALA ARG GLY ASP SER GLU LYS THR ILE TYR ILE VAL 5TGL 79
SEQRES 7 269 PHE ARG GLY SER SER SER ILE ARG ASN TRP ILE ALA ASP 5TGL 80
SEQRES 8 269 LEU THR PHE VAL PRO VAL SER TYR PRO PRO VAL SER GLY 5TGL 81
SEQRES 9 269 THR LYS VAL HIS LYS GLY PHE LEU ASP SER TYR GLY GLU 5TGL 82
SEQRES 10 269 VAL GLN ASN GLU LEU VAL ALA THR VAL LEU ASP GLN PHE 5TGL 83
SEQRES 11 269 LYS GLN TYR PRO SER TYR LYS VAL ALA VAL THR GLY HIS 5TGL 84
SEQRES 12 269 SER LEU GLY GLY ALA THR ALA LEU LEU CYS ALA LEU ASP 5TGL 85
SEQRES 13 269 LEU TYR GLN ARG GLU GLU GLY LEU SER SER SER ASN LEU 5TGL 86
SEQRES 14 269 PHE LEU TYR THR GLN GLY GLN PRO ARG VAL GLY ASN PRO 5TGL 87
SEQRES 15 269 ALA PHE ALA ASN TYR VAL VAL SER THR GLY ILE PRO TYR 5TGL 88
SEQRES 16 269 ARG ARG THR VAL ASN GLU ARG ASP ILE VAL PRO HIS LEU 5TGL 89
SEQRES 17 269 PRO PRO ALA ALA PHE GLY PHE LEU HIS ALA GLY SER GLU 5TGL 90
SEQRES 18 269 TYR TRP ILE THR ASP ASN SER PRO GLU THR VAL GLN VAL 5TGL 91
SEQRES 19 269 CYS THR SER ASP LEU GLU THR SER ASP CYS SER ASN SER 5TGL 92
SEQRES 20 269 ILE VAL PRO PHE THR SER VAL LEU ASP HIS LEU SER TYR 5TGL 93
SEQRES 21 269 PHE GLY ILE ASN THR GLY LEU CYS THR 5TGL 94
FTNOTE 1 5TGL 95
FTNOTE 1 RESIDUES PRO 34, PRO 209, PRO 229, AND PRO 250 ARE CIS 5TGL 96
FTNOTE 1 PROLINES. 5TGL 97
HET HEE 1 11 N-HEXYLPHOSPHONATE ETHYL ESTER 5TGL 98
FORMUL 2 HEE C8 H19 O2 P1 5TGL 99
SSBOND 1 CYS 29 CYS 268 5TGL 100
SSBOND 2 CYS 40 CYS 43 5TGL 101
SSBOND 3 CYS 235 CYS 244 5TGL 102
SITE 1 CAT 3 SER 144 ASP 203 HIS 257 5TGL 103
CRYST1 48.300 93.900 122.100 90.00 90.00 90.00 C 2 2 21 8 5TGL 104
ORIGX1 1.000000 0.000000 0.000000 0.00000 5TGL 105
ORIGX2 0.000000 1.000000 0.000000 0.00000 5TGL 106
ORIGX3 0.000000 0.000000 1.000000 0.00000 5TGL 107
SCALE1 0.020704 0.000000 0.000000 0.00000 5TGL 108
SCALE2 0.000000 0.010650 0.000000 0.00000 5TGL 109
SCALE3 0.000000 0.000000 0.008190 0.00000 5TGL 110 |