HEADER OXYGEN TRANSPORT 22-MAR-94 1HLB 1HLB 2 COMPND HEMOGLOBIN (SEA CUCUMBER) 1HLB 3 SOURCE SEA CUCUMBER (CAUDINA (MOLPADIA) ARENICOLA) 1HLB 4 AUTHOR M.L.HACKERT,D.T.MITCHELL 1HLB 5 REVDAT 1 22-JUN-94 1HLB 0 1HLB 6 JRNL AUTH D.T.MITCHELL,S.R.ERNST,W.X.WU,M.L.HACKERT 1HLB 7 JRNL TITL 1HLB 8 JRNL REF TO BE PUBLISHED 1HLB 9 JRNL REFN 0353 1HLB 10 REMARK 1 1HLB 11 REMARK 1 REFERENCE 1 1HLB 12 REMARK 1 AUTH G.D.MCDONALD,L.DAVIDSON,G.B.KITTO 1HLB 13 REMARK 1 TITL AMINO ACID SEQUENCE OF THE COELOMIC C GLOBIN FROM 1HLB 14 REMARK 1 TITL 2 THE SEA CUCUMBER CAUDINA (MOLPADIA) ARENICOLA 1HLB 15 REMARK 1 REF J.PROTEIN CHEM. V. 11 29 1992 1HLB 16 REMARK 1 REFN ASTM JPCHD2 UK ISSN 0277-8033 0935 1HLB 17 REMARK 1 REFERENCE 2 1HLB 18 REMARK 1 AUTH W.M.CARSON,T.R.BOWERS,G.B.KITTO,M.L.HACKERT 1HLB 19 REMARK 1 TITL PRELIMINARY CRYSTALLOGRAPHIC DATA ON MONOMERIC AND 1HLB 20 REMARK 1 TITL 2 DIMERIC HEMOGLOBINS FROM THE SEA CUCUMBER, MOLPADIA 1HLB 21 REMARK 1 TITL 3 ARENICOLA 1HLB 22 REMARK 1 REF J.BIOL.CHEM. V. 254 7400 1979 1HLB 23 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 1HLB 24 REMARK 1 REFERENCE 3 1HLB 25 REMARK 1 AUTH C.BONAVENTURA,J.BONAVENTURA,B.KITTO,M.BRUNORI, 1HLB 26 REMARK 1 AUTH 2 E.ANTONINI 1HLB 27 REMARK 1 TITL FUNCTIONAL CONSEQUENCES OF LIGAND-LINKED 1HLB 28 REMARK 1 TITL 2 DISSOCIATION IN HEMOGLOBIN FROM THE SEA CUCUMBER 1HLB 29 REMARK 1 TITL 3 MOLPADIA ARENICOLA 1HLB 30 REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V. 428 779 1976 1HLB 31 REMARK 1 REFN ASTM BBACAQ NE ISSN 0006-3002 0113 1HLB 32 REMARK 1 REFERENCE 4 1HLB 33 REMARK 1 AUTH G.B.KITTO,D.ERWIN,R.WEST,J.OMNAAS 1HLB 34 REMARK 1 TITL N-TERMINAL SUBSTITUTION OF SOME SEA CUCUMBER 1HLB 35 REMARK 1 TITL 2 HEMOGLOBINS 1HLB 36 REMARK 1 REF COMP.BIOCHEM.PHYSIOL. B: V. 55 105 1976 1HLB 37 REMARK 1 REF 2 COMP.BIOCHEM. 1HLB 38 REMARK 1 REFN ASTM CBPBB8 UK ISSN 0305-0491 2026 1HLB 39 REMARK 2 1HLB 40 REMARK 2 RESOLUTION. 2.5 ANGSTROMS. 1HLB 41 REMARK 3 1HLB 42 REMARK 3 REFINEMENT. 1HLB 43 REMARK 3 PROGRAM X-PLOR 1HLB 44 REMARK 3 AUTHORS BRUNGER 1HLB 45 REMARK 3 R VALUE 0.15 1HLB 46 REMARK 3 RMSD BOND DISTANCES 0.014 ANGSTROMS 1HLB 47 REMARK 3 RMSD BOND ANGLES 3.59 DEGREES 1HLB 48 REMARK 3 1HLB 49 REMARK 3 NUMBER OF REFLECTIONS 4916 1HLB 50 REMARK 3 RESOLUTION RANGE 5.0 - 2.5 ANGSTROMS 1HLB 51 REMARK 3 DATA CUTOFF 3.0 SIGMA(F) 1HLB 52 REMARK 3 PERCENT COMPLETION 82.5 1HLB 53 REMARK 3 1HLB 54 REMARK 3 NUMBER OF PROTEIN ATOMS 1525 1HLB 55 REMARK 3 NUMBER OF SOLVENT ATOMS 111 1HLB 56 REMARK 3 1HLB 57 REMARK 3 RMSD DIHEDRALS 22.9 DEGREES. RMSD IMPROPERS 1.42 DEGREES. 1HLB 58 REMARK 4 1HLB 59 REMARK 4 THE AMINO ACID SEQUENCE IS ACCORDING TO THOMAS, P. W. 1HLB 60 REMARK 4 (1994) PHD. DISSERTATION, UNIVERSITY OF TEXAS, AUSTIN, TX. 1HLB 61 SEQRES 1 158 ACE GLY GLY THR LEU ALA ILE GLN ALA GLN GLY ASP LEU 1HLB 62 SEQRES 2 158 THR LEU ALA GLN LYS LYS ILE VAL ARG LYS THR TRP HIS 1HLB 63 SEQRES 3 158 GLN LEU MET ARG ASN LYS THR SER PHE VAL THR ASP VAL 1HLB 64 SEQRES 4 158 PHE ILE ARG ILE PHE ALA TYR ASP PRO SER ALA GLN ASN 1HLB 65 SEQRES 5 158 LYS PHE PRO GLN MET ALA GLY MET SER ALA SER GLN LEU 1HLB 66 SEQRES 6 158 ARG SER SER ARG GLN MET GLN ALA HIS ALA ILE ARG VAL 1HLB 67 SEQRES 7 158 SER SER ILE MET SER GLU TYR VAL GLU GLU LEU ASP SER 1HLB 68 SEQRES 8 158 ASP ILE LEU PRO GLU LEU LEU ALA THR LEU ALA ARG THR 1HLB 69 SEQRES 9 158 HIS ASP LEU ASN LYS VAL GLY ALA ASP HIS TYR ASN LEU 1HLB 70 SEQRES 10 158 PHE ALA LYS VAL LEU MET GLU ALA LEU GLN ALA GLU LEU 1HLB 71 SEQRES 11 158 GLY SER ASP PHE ASN GLU LYS THR ARG ASP ALA TRP ALA 1HLB 72 SEQRES 12 158 LYS ALA PHE SER VAL VAL GLN ALA VAL LEU LEU VAL LYS 1HLB 73 SEQRES 13 158 HIS GLY 1HLB 74 FTNOTE 1 1HLB 75 FTNOTE 1 HEMICHROME COORDINATION OF HEME IRON ATOM WITH BOTH THE 1HLB 76 FTNOTE 1 PROXIMAL AND DISTAL HISTIDINES COORDINATING TO THE HEME 1HLB 77 FTNOTE 1 IRON ATOM. 1HLB 78 HET HEM 158 43 PROTOPORPHYRIN IX CONTAINS FE(II) 1HLB 79 FORMUL 2 HEM C34 H32 N4 O4 FE1 ++ 1HLB 80 FORMUL 3 HOH *111(H2 O1) 1HLB 81 HELIX 1 A THR 13 MET 28 1 1HLB 82 HELIX 2 B SER 33 TYR 45 1 1HLB 83 HELIX 3 C ASP 46 LYS 52 1 1HLB 84 HELIX 4 D SER 60 SER 66 1 1HLB 85 HELIX 5 E SER 67 GLU 86 1 DISTAL HIS 73 1HLB 86 HELIX 6 F ASP 91 LEU 106 1 KINK AT PRO 93, PROX. HIS 104 1HLB 87 HELIX 7 G GLY 110 GLU 128 1 1HLB 88 HELIX 8 H ASN 134 ALA 150 1 1HLB 89 TURN 1 G/H ASN 134 THR 137 BETA BEND, I 3 1HLB 90 CRYST1 45.740 45.230 40.920 90.00 104.40 90.00 P 21 2 1HLB 91 ORIGX1 1.000000 0.000000 0.000000 0.00000 1HLB 92 ORIGX2 0.000000 1.000000 0.000000 0.00000 1HLB 93 ORIGX3 0.000000 0.000000 1.000000 0.00000 1HLB 94 SCALE1 0.021863 0.000000 0.005613 0.00000 1HLB 95 SCALE2 0.000000 0.022109 0.000000 0.00000 1HLB 96 SCALE3 0.000000 0.000000 0.025231 0.00000 1HLB 97