HEADER PHOTOSYNTHETIC REACTION CENTER 04-FEB-88 1PRC 1PRC 3 COMPND PHOTOSYNTHETIC REACTION CENTER 1PRC 4 SOURCE (RHODOPSEUDOMONAS $VIRIDIS) 1PRC 5 AUTHOR J.DEISENHOFER,O.EPP,K.MIKI,R.HUBER,H.MICHEL 1PRC 6 REVDAT 4 15-OCT-94 1PRCC 3 SCALE 1PRCC 1 REVDAT 3 15-OCT-89 1PRCB 1 REMARK 1PRCB 1 REVDAT 2 19-APR-89 1PRCA 2 CONECT 1PRCA 1 REVDAT 1 09-JAN-89 1PRC 0 1PRC 7 JRNL AUTH J.DEISENHOFER,O.EPP,I.SINNING,H.MICHEL 1PRC 8 JRNL TITL CRYSTALLOGRAPHIC REFINEMENT AT 2.3 ANGSTROMS 1PRC 9 JRNL TITL 2 RESOLUTION AND REFINED MODEL OF THE PHOTOSYNTHETIC 1PRC 10 JRNL TITL 3 REACTION CENTER FROM RHODOPSEUDOMONAS $VIRIDIS 1PRC 11 JRNL REF TO BE PUBLISHED 1PRC 12 JRNL REFN 353 1PRC 13 REMARK 1 1PRC 14 REMARK 1 REFERENCE 1 1PRCB 2 REMARK 1 AUTH J.DEISENHOFER,H.MICHEL 1PRCB 3 REMARK 1 TITL THE PHOTOSYNTHETIC REACTION CENTER FROM THE PURPLE 1PRCB 4 REMARK 1 TITL 2 BACTERIUM RHODOPSEUDOMONAS $VIRIDIS 1PRCB 5 REMARK 1 REF SCIENCE V. 245 1463 1989 1PRCB 6 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 038 1PRCB 7 REMARK 1 REFERENCE 2 1PRCB 8 REMARK 1 AUTH J.DEISENHOFER,O.EPP,K.MIKI,R.HUBER,H.MICHEL 1PRC 16 REMARK 1 TITL STRUCTURE OF THE PROTEIN SUBUNITS IN THE 1PRC 17 REMARK 1 TITL 2 PHOTOSYNTHETIC REACTION CENTRE OF RHODOPSEUDOMONAS 1PRC 18 REMARK 1 TITL 3 $VIRIDIS AT 3 ANGSTROMS RESOLUTION 1PRC 19 REMARK 1 REF NATURE V. 318 618 1985 1PRC 20 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 1PRC 21 REMARK 1 REFERENCE 3 1PRCB 9 REMARK 1 AUTH J.DEISENHOFER,O.EPP,K.MIKI,R.HUBER,H.MICHEL 1PRC 23 REMARK 1 TITL X-RAY STRUCTURE ANALYSIS OF A MEMBRANE PROTEIN 1PRC 24 REMARK 1 TITL 2 COMPLEX. ELECTRON DENSITY MAP AT 3 ANGSTROMS 1PRC 25 REMARK 1 TITL 3 RESOLUTION AND A MODEL OF THE CHROMOPHORES OF THE 1PRC 26 REMARK 1 TITL 4 PHOTOSYNTHETIC REACTION CENTER FROM 1PRC 27 REMARK 1 TITL 5 RHODOPSEUDOMONAS $VIRIDIS 1PRC 28 REMARK 1 REF J.MOL.BIOL. V. 180 385 1984 1PRC 29 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1PRC 30 REMARK 1 REFERENCE 4 1PRCB 10 REMARK 1 AUTH H.MICHEL 1PRC 32 REMARK 1 TITL THREE-DIMENSIONAL CRYSTALS OF A MEMBRANE PROTEIN 1PRC 33 REMARK 1 TITL 2 COMPLEX. THE PHOTOSYNTHETIC REACTION CENTRE FROM 1PRC 34 REMARK 1 TITL 3 RHODOPSEUDOMONAS $VIRIDIS 1PRC 35 REMARK 1 REF J.MOL.BIOL. V. 158 567 1982 1PRC 36 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1PRC 37 REMARK 2 1PRC 38 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. 1PRC 39 REMARK 3 1PRC 40 REMARK 3 REFINEMENT. BY THE METHOD OF A. JACK AND M. LEVITT (PROGRAM 1PRC 41 REMARK 3 *EREF*) IN THE BEGINNING, FOLLOWED BY THE LEAST SQUARES 1PRC 42 REMARK 3 PROCEDURE OF D. TRONRUD, L. TENEYCK, AND B. MATTHEWS 1PRC 43 REMARK 3 (PROGRAM *TNT*) DURING THE SECOND HALF OF REFINEMENT. 1PRC 44 REMARK 3 THE R VALUE IS 0.193 FOR 95762 REFLECTIONS IN THE 1PRC 45 REMARK 3 RESOLUTION RANGE 19.99 TO 2.30 ANGSTROMS. AN UPPER LIMIT 1PRC 46 REMARK 3 FOR THE MEAN COORDINATE ERROR, AS DETERMINED BY THE 1PRC 47 REMARK 3 METHOD OF LUZZATI, IS 0.26 ANGSTROMS. 1PRC 48 REMARK 4 1PRC 49 REMARK 4 AN OCCUPANCY OF 0.0 INDICATES ATOMS THAT COULD NOT BE 1PRC 50 REMARK 4 LOCATED IN THE ELECTRON DENSITY DISTRIBUTION. THEIR 1PRC 51 REMARK 4 POSITIONS REPRESENT ONE OUT OF MANY POSSIBILITIES. 1PRC 52 REMARK 5 1PRCA 2 REMARK 5 CORRECTION. ADD MISSING BOND CHA - CBD TO CONECT RECORDS 1PRCA 3 REMARK 5 FOR BPB 605 AND BPB 606. 19-APR-89. 1PRCA 4 REMARK 6 1PRCB 11 REMARK 6 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND 1PRCB 12 REMARK 6 RENUMBER THE OTHERS. 15-OCT-89. 1PRCB 13 REMARK 7 1PRCC 2 REMARK 7 CORRECTION. SCALE TRANSFORMATION WAS INCORRECTLY ENTERED 1PRCC 3 REMARK 7 AS AN IDENTITY TRANSFORMATION. ENTER CORRECT INFORMATION. 1PRCC 4 REMARK 7 15-OCT-94. 1PRCC 5 SEQRES 1 C 336 CYS PHE GLU PRO PRO PRO ALA THR THR THR GLN THR GLY 1PRC 53 SEQRES 2 C 336 PHE ARG GLY LEU SER MET GLY GLU VAL LEU HIS PRO ALA 1PRC 54 SEQRES 3 C 336 THR VAL LYS ALA LYS LYS GLU ARG ASP ALA GLN TYR PRO 1PRC 55 SEQRES 4 C 336 PRO ALA LEU ALA ALA VAL LYS ALA GLU GLY PRO PRO VAL 1PRC 56 SEQRES 5 C 336 SER GLN VAL TYR LYS ASN VAL LYS VAL LEU GLY ASN LEU 1PRC 57 SEQRES 6 C 336 THR GLU ALA GLU PHE LEU ARG THR MET THR ALA ILE THR 1PRC 58 SEQRES 7 C 336 GLU TRP VAL SER PRO GLN GLU GLY CYS THR TYR CYS HIS 1PRC 59 SEQRES 8 C 336 ASP GLU ASN ASN LEU ALA SER GLU ALA LYS TYR PRO TYR 1PRC 60 SEQRES 9 C 336 VAL VAL ALA ARG ARG MET LEU GLU MET THR ARG ALA ILE 1PRC 61 SEQRES 10 C 336 ASN THR ASN TRP THR GLN HIS VAL ALA GLN THR GLY VAL 1PRC 62 SEQRES 11 C 336 THR CYS TYR THR CYS HIS ARG GLY THR PRO LEU PRO PRO 1PRC 63 SEQRES 12 C 336 TYR VAL ARG TYR LEU GLU PRO THR LEU PRO LEU ASN ASN 1PRC 64 SEQRES 13 C 336 ARG GLU THR PRO THR HIS VAL GLU ARG VAL GLU THR ARG 1PRC 65 SEQRES 14 C 336 SER GLY TYR VAL VAL ARG LEU ALA LYS TYR THR ALA TYR 1PRC 66 SEQRES 15 C 336 SER ALA LEU ASN TYR ASP PRO PHE THR MET PHE LEU ALA 1PRC 67 SEQRES 16 C 336 ASN ASP LYS ARG GLN VAL ARG VAL VAL PRO GLN THR ALA 1PRC 68 SEQRES 17 C 336 LEU PRO LEU VAL GLY VAL SER ARG GLY LYS GLU ARG ARG 1PRC 69 SEQRES 18 C 336 PRO LEU SER ASP ALA TYR ALA THR PHE ALA LEU MET MET 1PRC 70 SEQRES 19 C 336 SER ILE SER ASP SER LEU GLY THR ASN CYS THR PHE CYS 1PRC 71 SEQRES 20 C 336 HIS ASN ALA GLN THR PHE GLU SER TRP GLY LYS LYS SER 1PRC 72 SEQRES 21 C 336 THR PRO GLN ARG ALA ILE ALA TRP TRP GLY ILE ARG MET 1PRC 73 SEQRES 22 C 336 VAL ARG ASP LEU ASN MET ASN TYR LEU ALA PRO LEU ASN 1PRC 74 SEQRES 23 C 336 ALA SER LEU PRO ALA SER ARG LEU GLY ARG GLN GLY GLU 1PRC 75 SEQRES 24 C 336 ALA PRO GLN ALA ASP CYS ARG THR CYS HIS GLN GLY VAL 1PRC 76 SEQRES 25 C 336 THR LYS PRO LEU PHE GLY ALA SER ARG LEU LYS ASP TYR 1PRC 77 SEQRES 26 C 336 PRO GLU LEU GLY PRO ILE LYS ALA ALA ALA LYS 1PRC 78 SEQRES 1 L 273 ALA LEU LEU SER PHE GLU ARG LYS TYR ARG VAL ARG GLY 1PRC 79 SEQRES 2 L 273 GLY THR LEU ILE GLY GLY ASP LEU PHE ASP PHE TRP VAL 1PRC 80 SEQRES 3 L 273 GLY PRO TYR PHE VAL GLY PHE PHE GLY VAL SER ALA ILE 1PRC 81 SEQRES 4 L 273 PHE PHE ILE PHE LEU GLY VAL SER LEU ILE GLY TYR ALA 1PRC 82 SEQRES 5 L 273 ALA SER GLN GLY PRO THR TRP ASP PRO PHE ALA ILE SER 1PRC 83 SEQRES 6 L 273 ILE ASN PRO PRO ASP LEU LYS TYR GLY LEU GLY ALA ALA 1PRC 84 SEQRES 7 L 273 PRO LEU LEU GLU GLY GLY PHE TRP GLN ALA ILE THR VAL 1PRC 85 SEQRES 8 L 273 CYS ALA LEU GLY ALA PHE ILE SER TRP MET LEU ARG GLU 1PRC 86 SEQRES 9 L 273 VAL GLU ILE SER ARG LYS LEU GLY ILE GLY TRP HIS VAL 1PRC 87 SEQRES 10 L 273 PRO LEU ALA PHE CYS VAL PRO ILE PHE MET PHE CYS VAL 1PRC 88 SEQRES 11 L 273 LEU GLN VAL PHE ARG PRO LEU LEU LEU GLY SER TRP GLY 1PRC 89 SEQRES 12 L 273 HIS ALA PHE PRO TYR GLY ILE LEU SER HIS LEU ASP TRP 1PRC 90 SEQRES 13 L 273 VAL ASN ASN PHE GLY TYR GLN TYR LEU ASN TRP HIS TYR 1PRC 91 SEQRES 14 L 273 ASN PRO GLY HIS MET SER SER VAL SER PHE LEU PHE VAL 1PRC 92 SEQRES 15 L 273 ASN ALA MET ALA LEU GLY LEU HIS GLY GLY LEU ILE LEU 1PRC 93 SEQRES 16 L 273 SER VAL ALA ASN PRO GLY ASP GLY ASP LYS VAL LYS THR 1PRC 94 SEQRES 17 L 273 ALA GLU HIS GLU ASN GLN TYR PHE ARG ASP VAL VAL GLY 1PRC 95 SEQRES 18 L 273 TYR SER ILE GLY ALA LEU SER ILE HIS ARG LEU GLY LEU 1PRC 96 SEQRES 19 L 273 PHE LEU ALA SER ASN ILE PHE LEU THR GLY ALA PHE GLY 1PRC 97 SEQRES 20 L 273 THR ILE ALA SER GLY PRO PHE TRP THR ARG GLY TRP PRO 1PRC 98 SEQRES 21 L 273 GLU TRP TRP GLY TRP TRP LEU ASP ILE PRO PHE TRP SER 1PRC 99 SEQRES 1 M 323 ALA ASP TYR GLN THR ILE TYR THR GLN ILE GLN ALA ARG 1PRC 100 SEQRES 2 M 323 GLY PRO HIS ILE THR VAL SER GLY GLU TRP GLY ASP ASN 1PRC 101 SEQRES 3 M 323 ASP ARG VAL GLY LYS PRO PHE TYR SER TYR TRP LEU GLY 1PRC 102 SEQRES 4 M 323 LYS ILE GLY ASP ALA GLN ILE GLY PRO ILE TYR LEU GLY 1PRC 103 SEQRES 5 M 323 ALA SER GLY ILE ALA ALA PHE ALA PHE GLY SER THR ALA 1PRC 104 SEQRES 6 M 323 ILE LEU ILE ILE LEU PHE ASN MET ALA ALA GLU VAL HIS 1PRC 105 SEQRES 7 M 323 PHE ASP PRO LEU GLN PHE PHE ARG GLN PHE PHE TRP LEU 1PRC 106 SEQRES 8 M 323 GLY LEU TYR PRO PRO LYS ALA GLN TYR GLY MET GLY ILE 1PRC 107 SEQRES 9 M 323 PRO PRO LEU HIS ASP GLY GLY TRP TRP LEU MET ALA GLY 1PRC 108 SEQRES 10 M 323 LEU PHE MET THR LEU SER LEU GLY SER TRP TRP ILE ARG 1PRC 109 SEQRES 11 M 323 VAL TYR SER ARG ALA ARG ALA LEU GLY LEU GLY THR HIS 1PRC 110 SEQRES 12 M 323 ILE ALA TRP ASN PHE ALA ALA ALA ILE PHE PHE VAL LEU 1PRC 111 SEQRES 13 M 323 CYS ILE GLY CYS ILE HIS PRO THR LEU VAL GLY SER TRP 1PRC 112 SEQRES 14 M 323 SER GLU GLY VAL PRO PHE GLY ILE TRP PRO HIS ILE ASP 1PRC 113 SEQRES 15 M 323 TRP LEU THR ALA PHE SER ILE ARG TYR GLY ASN PHE TYR 1PRC 114 SEQRES 16 M 323 TYR CYS PRO TRP HIS GLY PHE SER ILE GLY PHE ALA TYR 1PRC 115 SEQRES 17 M 323 GLY CYS GLY LEU LEU PHE ALA ALA HIS GLY ALA THR ILE 1PRC 116 SEQRES 18 M 323 LEU ALA VAL ALA ARG PHE GLY GLY ASP ARG GLU ILE GLU 1PRC 117 SEQRES 19 M 323 GLN ILE THR ASP ARG GLY THR ALA VAL GLU ARG ALA ALA 1PRC 118 SEQRES 20 M 323 LEU PHE TRP ARG TRP THR ILE GLY PHE ASN ALA THR ILE 1PRC 119 SEQRES 21 M 323 GLU SER VAL HIS ARG TRP GLY TRP PHE PHE SER LEU MET 1PRC 120 SEQRES 22 M 323 VAL MET VAL SER ALA SER VAL GLY ILE LEU LEU THR GLY 1PRC 121 SEQRES 23 M 323 THR PHE VAL ASP ASN TRP TYR LEU TRP CYS VAL LYS HIS 1PRC 122 SEQRES 24 M 323 GLY ALA ALA PRO ASP TYR PRO ALA TYR LEU PRO ALA THR 1PRC 123 SEQRES 25 M 323 PRO ASP PRO ALA SER LEU PRO GLY ALA PRO LYS 1PRC 124 SEQRES 1 H 259 FOR MET TYR HIS GLY ALA LEU ALA GLN HIS LEU ASP ILE 1PRC 125 SEQRES 2 H 259 ALA GLN LEU VAL TRP TYR ALA GLN TRP LEU VAL ILE TRP 1PRC 126 SEQRES 3 H 259 THR VAL VAL LEU LEU TYR LEU ARG ARG GLU ASP ARG ARG 1PRC 127 SEQRES 4 H 259 GLU GLY TYR PRO LEU VAL GLU PRO LEU GLY LEU VAL LYS 1PRC 128 SEQRES 5 H 259 LEU ALA PRO GLU ASP GLY GLN VAL TYR GLU LEU PRO TYR 1PRC 129 SEQRES 6 H 259 PRO LYS THR PHE VAL LEU PRO HIS GLY GLY THR VAL THR 1PRC 130 SEQRES 7 H 259 VAL PRO ARG ARG ARG PRO GLU THR ARG GLU LEU LYS LEU 1PRC 131 SEQRES 8 H 259 ALA GLN THR ASP GLY PHE GLU GLY ALA PRO LEU GLN PRO 1PRC 132 SEQRES 9 H 259 THR GLY ASN PRO LEU VAL ASP ALA VAL GLY PRO ALA SER 1PRC 133 SEQRES 10 H 259 TYR ALA GLU ARG ALA GLU VAL VAL ASP ALA THR VAL ASP 1PRC 134 SEQRES 11 H 259 GLY LYS ALA LYS ILE VAL PRO LEU ARG VAL ALA THR ASP 1PRC 135 SEQRES 12 H 259 PHE SER ILE ALA GLU GLY ASP VAL ASP PRO ARG GLY LEU 1PRC 136 SEQRES 13 H 259 PRO VAL VAL ALA ALA ASP GLY VAL GLU ALA GLY THR VAL 1PRC 137 SEQRES 14 H 259 THR ASP LEU TRP VAL ASP ARG SER GLU HIS TYR PHE ARG 1PRC 138 SEQRES 15 H 259 TYR LEU GLU LEU SER VAL ALA GLY SER ALA ARG THR ALA 1PRC 139 SEQRES 16 H 259 LEU ILE PRO LEU GLY PHE CYS ASP VAL LYS LYS ASP LYS 1PRC 140 SEQRES 17 H 259 ILE VAL VAL THR SER ILE LEU SER GLU GLN PHE ALA ASN 1PRC 141 SEQRES 18 H 259 VAL PRO ARG LEU GLN SER ARG ASP GLN ILE THR LEU ARG 1PRC 142 SEQRES 19 H 259 GLU GLU ASP LYS VAL SER ALA TYR TYR ALA GLY GLY LEU 1PRC 143 SEQRES 20 H 259 LEU TYR ALA THR PRO GLU ARG ALA GLU SER LEU LEU 1PRC 144 FTNOTE 1 1PRC 145 FTNOTE 1 RESIDUES PRO C 6, PRO C 153, PRO C 330, PRO M 48, PRO H 42, 1PRC 146 FTNOTE 1 AND PRO H 79 ARE CIS PROLINES. 1PRC 147 FTNOTE 2 1PRC 148 FTNOTE 2 SEE REMARK 4. 1PRC 149 HET BCL 601 66 BACTERIOCHLOROPHYLL B 1PRC 150 HET BCL 602 66 BACTERIOCHLOROPHYLL B 1PRC 151 HET BCL 603 66 BACTERIOCHLOROPHYLL B 1PRC 152 HET BCL 604 66 BACTERIOCHLOROPHYLL B 1PRC 153 HET BPB 605 65 BACTERIOPHEOPHYTIN B 1PRC 154 HET BPB 606 65 BACTERIOPHEOPHYTIN B 1PRC 155 HET FE 607 1 IRON 1PRC 156 HET MQ7 608 48 MENAQUINONE-7 1PRC 157 HET HEM 609 43 PROTOPORPHYRIN IX CONTAINS FE 1PRC 158 HET HEM 610 43 PROTOPORPHYRIN IX CONTAINS FE 1PRC 159 HET HEM 611 43 PROTOPORPHYRIN IX CONTAINS FE 1PRC 160 HET HEM 612 43 PROTOPORPHYRIN IX CONTAINS FE 1PRC 161 HET NS1 613 40 DIHYDRO-NEUROSPORENE 1PRC 162 HET UQ1 614 18 UBIQUINONE-1 1PRC 163 HET LDA 615 16 LAURYL DIMETHYLAMINE-OXIDE 1PRC 164 HET LDA 616 16 LAURYL DIMETHYLAMINE-OXIDE 1PRC 165 HET SO4 617 5 SULFATE 1PRC 166 HET SO4 618 5 SULFATE 1PRC 167 HET SO4 619 5 SULFATE 1PRC 168 HET SO4 620 5 SULFATE 1PRC 169 HET SO4 621 5 SULFATE 1PRC 170 HET SO4 622 5 SULFATE 1PRC 171 HET SO4 623 5 SULFATE 1PRC 172 FORMUL 5 BCL 4(C55 H74 N4 O6 MG1 ++) 1PRC 173 FORMUL 6 BPB 2(C55 H76 N4 O6) 1PRC 174 FORMUL 7 FE FE1 ++ 1PRC 175 FORMUL 8 MQ7 C46 H64 O2 1PRC 176 FORMUL 9 HEM 4(C34 H32 N4 O4 FE1 ++) 1PRC 177 FORMUL 10 NS1 C40 H60 1PRC 178 FORMUL 11 UQ1 C14 H18 O4 1PRC 179 FORMUL 12 LDA 2(C14 H31 N1 O1) 1PRC 180 FORMUL 13 SO4 7(O4 S1) 1PRC 181 FORMUL 14 HOH *201(H2 O1) 1PRC 182 CRYST1 223.500 223.500 113.600 90.00 90.00 90.00 P 43 21 2 8 1PRC 183 ORIGX1 1.000000 0.000000 0.000000 0.00000 1PRC 184 ORIGX2 0.000000 1.000000 0.000000 0.00000 1PRC 185 ORIGX3 0.000000 0.000000 1.000000 0.00000 1PRC 186 SCALE1 0.004474 0.000000 0.000000 0.00000 1PRCC 6 SCALE2 0.000000 0.004474 0.000000 0.00000 1PRCC 7 SCALE3 0.000000 0.000000 0.008803 0.00000 1PRCC 8