📄 2hhb.ent
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HEADER OXYGEN TRANSPORT 07-MAR-84 2HHB 2HHB 3COMPND HEMOGLOBIN (DEOXY) 2HHB 4SOURCE HUMAN (HOMO SAPIENS) 2HHB 5AUTHOR G.FERMI,M.F.PERUTZ 2HHB 6REVDAT 2 15-OCT-89 2HHBA 3 MTRIX 2HHBA 1REVDAT 1 18-JUL-84 2HHB 0 2HHB 7SPRSDE 18-JUL-84 2HHB 1HHB 2HHB 8JRNL AUTH G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME 2HHB 9JRNL TITL THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 2HHB 10JRNL TITL 2 1.74 ANGSTROMS RESOLUTION 2HHB 11JRNL REF J.MOL.BIOL. V. 175 159 1984 2HHB 12JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 2HHB 13REMARK 1 2HHB 14REMARK 1 REFERENCE 1 2HHB 15REMARK 1 AUTH M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER, 2HHB 16REMARK 1 AUTH 2 J.E.HAHN 2HHB 17REMARK 1 TITL STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN 2HHB 18REMARK 1 REF NATURE V. 295 535 1982 2HHB 19REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 2HHB 20REMARK 1 REFERENCE 2 2HHB 21REMARK 1 AUTH G.FERMI,M.F.PERUTZ 2HHB 22REMARK 1 REF HAEMOGLOBIN AND MYOGLOBIN. V. 2 1981 2HHB 23REMARK 1 REF 2 ATLAS OF MOLECULAR 2HHB 24REMARK 1 REF 3 STRUCTURES IN BIOLOGY 2HHB 25REMARK 1 PUBL OXFORD UNIVERSITY PRESS 2HHB 26REMARK 1 REFN ISBN 0-19-854706-4 986 2HHB 27REMARK 1 REFERENCE 3 2HHB 28REMARK 1 AUTH M.F.PERUTZ 2HHB 29REMARK 1 TITL REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. 2HHB 30REMARK 1 TITL 2 INFLUENCE OF STRUCTURE OF THE GLOBIN ON THE HEME 2HHB 31REMARK 1 TITL 3 IRON 2HHB 32REMARK 1 REF ANNU.REV.BIOCHEM. V. 48 327 1979 2HHB 33REMARK 1 REFN ASTM ARBOAW US ISSN 0066-4154 413 2HHB 34REMARK 1 REFERENCE 4 2HHB 35REMARK 1 AUTH L.F.TEN*EYCK,A.ARNONE 2HHB 36REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN 2HHB 37REMARK 1 TITL 2 DEOXYHEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, 2HHB 38REMARK 1 TITL 3 $I.X-RAY ANALYSIS 2HHB 39REMARK 1 REF J.MOL.BIOL. V. 100 3 1976 2HHB 40REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 2HHB 41REMARK 1 REFERENCE 5 2HHB 42REMARK 1 AUTH G.FERMI 2HHB 43REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN 2HHB 44REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, 2HHB 45REMARK 1 TITL 3 REFINEMENT OF THE ATOMIC MODEL 2HHB 46REMARK 1 REF J.MOL.BIOL. V. 97 237 1975 2HHB 47REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 2HHB 48REMARK 1 REFERENCE 6 2HHB 49REMARK 1 AUTH H.MUIRHEAD,J.GREER 2HHB 50REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN 2HHB 51REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION 2HHB 52REMARK 1 REF NATURE V. 228 516 1970 2HHB 53REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 2HHB 54REMARK 1 REFERENCE 7 2HHB 55REMARK 1 EDIT M.O.DAYHOFF 2HHB 56REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 56 1972 2HHB 57REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) 2HHB 58REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, 2HHB 59REMARK 1 PUBL 2 SILVER SPRING,MD. 2HHB 60REMARK 1 REFN ISBN 0-912466-02-2 435 2HHB 61REMARK 1 REFERENCE 8 2HHB 62REMARK 1 EDIT M.O.DAYHOFF 2HHB 63REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 64 1972 2HHB 64REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) 2HHB 65REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, 2HHB 66REMARK 1 PUBL 2 SILVER SPRING,MD. 2HHB 67REMARK 1 REFN ISBN 0-912466-02-2 435 2HHB 68REMARK 2 2HHB 69REMARK 2 RESOLUTION. 1.74 ANGSTROMS. 2HHB 70REMARK 3 2HHB 71REMARK 3 REFINEMENT. BY THE METHOD OF JACK AND LEVITT. THE SCALE 2HHB 72REMARK 3 FACTOR BETWEEN ENERGY AND X-RAY FORMS WAS VARIED BETWEEN 2HHB 73REMARK 3 .00025 AND .0005 TO MAINTAIN THE RMS VARIATION OF THE C-C 2HHB 74REMARK 3 SINGLE BONDS BETWEEN 0.02 AND 0.03 ANGSTROMS. THE IRON 2HHB 75REMARK 3 ATOMS WERE UNRESTRAINED IN ORDER TO AVOID ANY POSSIBLE 2HHB 76REMARK 3 BIAS IN THEIR POSITIONS. THE FINAL R VALUE IS 0.16. 2HHB 77REMARK 4 2HHB 78REMARK 4 THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT CONTAINS TWO ALPHA AND 2HHB 79REMARK 4 TWO BETA CHAINS. 2HHB 80REMARK 5 2HHB 81REMARK 5 THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM 2HHB 82REMARK 5 SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE 2HHB 83REMARK 5 (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE 2HHB 84REMARK 5 PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS. 2HHB 85REMARK 5 THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW 2HHB 86REMARK 5 WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM 2HHB 87REMARK 5 THE *A* AND *B* CHAINS RESPECTIVELY. 2HHB 88REMARK 6 2HHB 89REMARK 6 THREE SETS OF COORDINATES FOR HUMAN HEMOGLOBIN WERE 2HHB 90REMARK 6 DEPOSITED SIMULTANEOUSLY. 2HHB 91REMARK 6 2HHB. REFINED BY THE METHOD OF JACK AND LEVITT. THIS 2HHB 92REMARK 6 ENTRY PRESENTS THE BEST ESTIMATE OF THE 2HHB 93REMARK 6 COORDINATES. 2HHB 94REMARK 6 3HHB. SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) 2HHB 95REMARK 6 MOLECULAR AXIS AND THEN RE-REGULARIZED BY THE 2HHB 96REMARK 6 ENERGY REFINEMENT METHOD OF LEVITT. THIS ENTRY 2HHB 97REMARK 6 PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST 2HHB 98REMARK 6 PURPOSES, SUCH AS COMPARISON WITH OTHER STRUCTURES. 2HHB 99REMARK 6 4HHB. UNRESTRAINED REFINEMENT. THIS ENTRY PRESENTS 2HHB 100REMARK 6 COORDINATES THAT ARE USEFUL FOR STATISTICAL STUDIES 2HHB 101REMARK 6 (E.G. PHI/PSI ANGLES) WHERE DATA UNBIASED BY 2HHB 102REMARK 6 RESTRAINTS IS REQUIRED. 2HHB 103REMARK 7 2HHB 104REMARK 7 STRUCTURE FACTORS FOR HUMAN DEOXYHEMOGLOBIN ARE AVAILABLE 2HHB 105REMARK 7 FROM THE PROTEIN DATA BANK AS A SEPARATE ENTRY. 2HHB 106REMARK 8 2HHBA 2REMARK 8 CORRECTION. CORRECT FORMAT OF MTRIX RECORDS. 15-OCT-89. 2HHBA 3SEQRES 1 A 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA 2HHB 107SEQRES 2 A 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA 2HHB 108SEQRES 3 A 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR 2HHB 109SEQRES 4 A 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER 2HHB 110SEQRES 5 A 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA 2HHB 111SEQRES 6 A 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN 2HHB 112SEQRES 7 A 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU 2HHB 113SEQRES 8 A 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS 2HHB 114SEQRES 9 A 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE 2HHB 115SEQRES 10 A 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA 2HHB 116SEQRES 11 A 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG 2HHB 117SEQRES 1 B 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA 2HHB 118SEQRES 2 B 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU 2HHB 119SEQRES 3 B 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN 2HHB 120SEQRES 4 B 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP 2HHB 121SEQRES 5 B 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS 2HHB 122SEQRES 6 B 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU 2HHB 123SEQRES 7 B 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU 2HHB 124SEQRES 8 B 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG 2HHB 125SEQRES 9 B 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS 2HHB 126SEQRES 10 B 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR 2HHB 127SEQRES 11 B 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS 2HHB 128SEQRES 12 B 146 LYS TYR HIS 2HHB 129SEQRES 1 C 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA 2HHB 130SEQRES 2 C 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA 2HHB 131SEQRES 3 C 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR 2HHB 132SEQRES 4 C 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER 2HHB 133SEQRES 5 C 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA 2HHB 134SEQRES 6 C 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN 2HHB 135SEQRES 7 C 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU 2HHB 136SEQRES 8 C 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS 2HHB 137SEQRES 9 C 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE 2HHB 138SEQRES 10 C 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA 2HHB 139SEQRES 11 C 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG 2HHB 140SEQRES 1 D 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA 2HHB 141SEQRES 2 D 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU 2HHB 142SEQRES 3 D 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN 2HHB 143SEQRES 4 D 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP 2HHB 144SEQRES 5 D 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS 2HHB 145SEQRES 6 D 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU 2HHB 146SEQRES 7 D 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU 2HHB 147SEQRES 8 D 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG 2HHB 148SEQRES 9 D 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS 2HHB 149SEQRES 10 D 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR 2HHB 150SEQRES 11 D 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS 2HHB 151SEQRES 12 D 146 LYS TYR HIS 2HHB 152FTNOTE 1 2HHB 153FTNOTE 1 PROBABLY PHOSPHATE GROUP. 2HHB 154HET HEM A 1 43 PROTOPORPHYRIN IX GRP CONTAINS FE(2+) 2HHB 155HET HEM B 1 43 PROTOPORPHYRIN IX GRP CONTAINS FE(2+) 2HHB 156HET HEM C 1 43 PROTOPORPHYRIN IX GRP CONTAINS FE(2+) 2HHB 157HET HEM D 1 43 PROTOPORPHYRIN IX GRP CONTAINS FE(2+) 2HHB 158HET PO4 1 1 PHOSPHATE GROUP 2HHB 159HET PO4 2 1 PHOSPHATE GROUP 2HHB 160FORMUL 5 HEM 4(C34 H32 N4 O4 FE1 ++) 2HHB 161⌨️ 快捷键说明
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