HEADER ACID ANHYDRIDE HYDROLASE 01-AUG-94 1IGP 1IGP 2 COMPND INORGANIC PYROPHOSPHATASE (E.C.3.6.1.1) 1IGP 3 SOURCE (ESCHERICHIA COLI) 1IGP 4 AUTHOR V.YU.OGANESSYAN,S.M.AVAEVA,E.H.HARUTYUNYAN 1IGP 5 REVDAT 1 20-DEC-94 1IGP 0 1IGP 6 REMARK 1 1IGP 7 REMARK 1 REFERENCE 1 1IGP 8 REMARK 1 AUTH T.I.NAZAROVA,A.N.POPOV,A.A.LEBEDEV,S.M.AVAEVA, 1IGP 9 REMARK 1 AUTH 2 E.H.HARUTYUNYAN 1IGP 10 REMARK 1 TITL X-RAY CRYSTALLOGRAPHIC STUDIES OF RECOMBINANT 1IGP 11 REMARK 1 TITL 2 INORGANIC PYROPHOSPHATASE FROM ESCHERICHIA COLI 1IGP 12 REMARK 1 REF FEBS LETT. V. 348 301 1994 1IGP 13 REMARK 1 REFN ASTM FEBLAL NE ISSN 0014-5793 0165 1IGP 14 REMARK 1 REFERENCE 2 1IGP 15 REMARK 1 AUTH T.N.SAFONOVA,A.V.TEPLYAKOV,G.V.OBMOLOVA,A.N.POPOV, 1IGP 16 REMARK 1 AUTH 2 I.P.KURANOVA,E.G.HARUTYUNYAN 1IGP 17 REMARK 1 TITL CRYSTAL STRUCTURE OF FERRIC COMPLEX OF THE YELLOW 1IGP 18 REMARK 1 TITL 2 LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 1IGP 19 REMARK 1 TITL 3 ANGSTROMS RESOLUTION 1IGP 20 REMARK 1 REF BIOORG.KHIM. V. 17 1605 1991 1IGP 21 REMARK 1 REFN ASTM BIKHD7 UR ISSN 0132-3423 0364 1IGP 22 REMARK 1 REFERENCE 3 1IGP 23 REMARK 1 AUTH G.V.OBMOLOVA,T.N.SAFONOVA,A.V.TEPLYAKOV,A.N.POPOV, 1IGP 24 REMARK 1 AUTH 2 I.P.KURANOVA,E.G.HARUTYUNYAN,B.K.VAINSHTEIN 1IGP 25 REMARK 1 TITL X-RAY STRUCTURE OF FERROUS COMPLEXES OF THE YELLOW 1IGP 26 REMARK 1 TITL 2 LUPIN LEGHEMOGLOBIN WITH CO AND NO AT 1.8 ANGSTROMS 1IGP 27 REMARK 1 TITL 3 RESOLUTION 1IGP 28 REMARK 1 REF BIOORG.KHIM. V. 14 1509 1988 1IGP 29 REMARK 1 REFN ASTM BIKHD7 UR ISSN 0132-3423 0364 1IGP 30 REMARK 1 REFERENCE 4 1IGP 31 REMARK 1 AUTH R.LAHTI,T.PITKARANTA,E.VALVE,I.ILTA,E.KUKKO-KALSKE, 1IGP 32 REMARK 1 AUTH 2 J.HEINONEN 1IGP 33 REMARK 1 TITL CLONING AND CHARACTERIZATION OF THE GENE ENCODING 1IGP 34 REMARK 1 TITL 2 INORGANIC PYROPHOSPHATASE OF ESCHERICHIA COLI K 12 1IGP 35 REMARK 1 REF J.APPL.MATH.PHYS. V. 170 5901 1988 1IGP 36 REMARK 1 REFN ASTM ZAMPDB SZ ISSN 0044-2275 0841 1IGP 37 REMARK 2 1IGP 38 REMARK 2 RESOLUTION. 2.2 ANGSTROMS. 1IGP 39 REMARK 3 1IGP 40 REMARK 3 REFINEMENT. 1IGP 41 REMARK 3 PROGRAM PROLSQ 1IGP 42 REMARK 3 AUTHORS KONNERT,HENDRICKSON 1IGP 43 REMARK 3 R VALUE 0.22 1IGP 44 REMARK 3 RMSD BOND DISTANCES 0.020 ANGSTROMS 1IGP 45 REMARK 3 RMSD BOND ANGLE DISTANCES 0.074 ANGSTROMS 1IGP 46 REMARK 3 1IGP 47 REMARK 3 NUMBER OF PROTEIN ATOMS 1379 1IGP 48 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 0 1IGP 49 REMARK 3 NUMBER OF SOLVENT ATOMS 206 1IGP 50 REMARK 4 1IGP 51 REMARK 4 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE 1IGP 52 REMARK 4 TRACKING NUMBER: T5231, DATE REVISED: 18-NOV-94 1IGP 53 REMARK 5 1IGP 54 REMARK 5 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES 1IGP 55 REMARK 5 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE 1IGP 56 REMARK 5 THAN 4.0*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 1IGP 57 REMARK 5 IDENTIFIER; SEQ=SEQUENCE NUMBER; I=INSERTION CODE). 1IGP 58 REMARK 5 1IGP 59 REMARK 5 COVALENT BOND ANGLES: 1IGP 60 REMARK 5 M RES C SEQI ATM1 ATM2 ATM3 (FROM ENGH AND HUBER,1991) 1IGP 61 REMARK 5 0 LYS 29 CA - CB - CG ANGL. DEV. = 15.6 DEGREES 1IGP 62 REMARK 5 0 ARG 86 CD - NE - CZ ANGL. DEV. = 14.5 DEGREES 1IGP 63 REMARK 5 0 GLU 153 C - CA - CB ANGL. DEV. = 14.3 DEGREES 1IGP 64 REMARK 6 1IGP 65 REMARK 6 CROSS REFERENCE TO SEQUENCE DATABASE 1IGP 66 REMARK 6 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1IGP 67 REMARK 6 IPYR_ECOLI 1IGP 68 REMARK 6 1IGP 69 REMARK 6 SEQUENCE ADVISORY NOTICE 1IGP 70 REMARK 6 DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. 1IGP 71 REMARK 6 1IGP 72 REMARK 6 SWISS-PROT ENTRY NAME: IPYR_ECOLI 1IGP 73 REMARK 6 1IGP 74 REMARK 6 SWISS-PROT RESIDUE PDB SEQRES 1IGP 75 REMARK 6 1IGP 76 REMARK 6 NAME NUMBER NAME CHAIN SEQ/INSERT CODE 1IGP 77 REMARK 8 ILE 85 THR 85 1IGP 78 SEQRES 1 175 SER LEU LEU ASN VAL PRO ALA GLY LYS ASP LEU PRO GLU 1IGP 79 SEQRES 2 175 ASP ILE TYR VAL VAL ILE GLU ILE PRO ALA ASN ALA ASP 1IGP 80 SEQRES 3 175 PRO ILE LYS TYR GLU ILE ASP LYS GLU SER GLY ALA LEU 1IGP 81 SEQRES 4 175 PHE VAL ASP ARG PHE MET SER THR ALA MET PHE TYR PRO 1IGP 82 SEQRES 5 175 CYS ASN TYR GLY TYR ILE ASN HIS THR LEU SER LEU ASP 1IGP 83 SEQRES 6 175 GLY ASP PRO VAL ASP VAL LEU VAL PRO THR PRO TYR PRO 1IGP 84 SEQRES 7 175 LEU GLN PRO GLY SER VAL THR ARG CYS ARG PRO VAL GLY 1IGP 85 SEQRES 8 175 VAL LEU LYS MET THR ASP GLU ALA GLY GLU ASP ALA LYS 1IGP 86 SEQRES 9 175 LEU VAL ALA VAL PRO HIS SER LYS LEU SER LYS GLU TYR 1IGP 87 SEQRES 10 175 ASP HIS ILE LYS ASP VAL ASN ASP LEU PRO GLU LEU LEU 1IGP 88 SEQRES 11 175 LYS ALA GLN ILE ALA HIS PHE PHE GLU HIS TYR LYS ASP 1IGP 89 SEQRES 12 175 LEU GLU LYS GLY LYS TRP VAL LYS VAL GLU GLY TRP GLU 1IGP 90 SEQRES 13 175 ASN ALA GLU ALA ALA LYS ALA GLU ILE VAL ALA SER PHE 1IGP 91 SEQRES 14 175 GLU ARG ALA LYS ASN LYS 1IGP 92 FTNOTE 1 1IGP 93 FTNOTE 1 CIS PROLINE - PRO 12 1IGP 94 FORMUL 2 HOH *130(H2 O1) 1IGP 95 HELIX 1 A1 SER 111 ASP 118 1 1IGP 96 HELIX 2 A2 LEU 126 LYS 146 1 1IGP 97 HELIX 3 A3 ASN 157 LYS 173 1 1IGP 98 CRYST1 110.400 110.400 76.800 90.00 90.00 120.00 R 3 2 18 1IGP 99 ORIGX1 1.000000 0.000000 0.000000 0.00000 1IGP 100 ORIGX2 0.000000 1.000000 0.000000 0.00000 1IGP 101 ORIGX3 0.000000 0.000000 1.000000 0.00000 1IGP 102 SCALE1 0.009058 0.005230 0.000000 0.00000 1IGP 103 SCALE2 0.000000 0.010459 0.000000 0.00000 1IGP 104 SCALE3 0.000000 0.000000 0.013021 0.00000 1IGP 105