02 - coords-angles1

02 - coords-angles1 - The Source of (Public) Protein...

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The Source of (Public) Protein Structures http://www/rcsb.org/pdb Molecule of the Month Series – Education Core URL: http://www.rcsb.org/pdb/ static.do?p=education_discussion/ molecule_of_the_month/ Home: index.html Latest: current_month.html List: alphabetical_list.html A Protein Structure’s “Home Page” An Entry for a Protein - continued errors? Geometry and Sequence details tabs. Surveys and error checks and information.
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HEADER STRUCTURAL GENOMICS 01-JUN-01 1JAY TITLE STRUCTURE OF COENZYME F420H2:NADP+ OXIDOREDUCTASE (FNO) TITLE 2 WITH ITS SUBSTRATES BOUND COMPND MOL_ID: 1; COMPND 2 MOLECULE: COENZYME F420H2:NADP+ OXIDOREDUCTASE (FNO); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_COMMON: ARCHAEA; SOURCE 4 GENE: AF0892; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) KEYWDS ROSSMAN FOLD EXPDTA X-RAY DIFFRACTION AUTHOR E.WARKENTIN,B.MAMAT,R.THAUER,U.ERMLER,S.SHIMA REVDAT 1 21-DEC-01 1JAY 0 JRNL AUTH E.WARKENTIN,B.MAMAT,R.THAUER,U.ERMLER,S.SHIMA, JRNL AUTH 2 M.SORDEL-KLIPPERT,M.WICKE,M.IWATA,S.IWATA JRNL TITL STRUCTURES OF F(420)H(2):NADP(+) OXIDOREDUCTASE JRNL TITL 2 WITH AND WITHOUT ITS SUBSTRATES BOUND JRNL REF EMBO J. V. 20 6561 2001 JRNL REFN ASTM EMJODG UK ISSN 0261-4189 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 PDB format Fixed column format. From the days of Fortran. Now MMCIF is preferred but very verbose. DBREF 1JAY A 1 212 GB 2649709 AAB90348 1 212 DBREF 1JAY B 1 212 GB 2649709 AAB90348 1 212 SEQRES 1 A 212 MET ARG VAL ALA LEU LEU GLY GLY THR GLY ASN LEU GLY SEQRES 2 A 212 LYS GLY LEU ALA LEU ARG LEU ALA THR LEU GLY HIS GLU SEQRES 3 A 212 ILE VAL VAL GLY SER ARG ARG GLU GLU LYS ALA GLU ALA SEQRES 4 A 212 LYS ALA ALA GLU TYR ARG ARG ILE ALA GLY ASP ALA SER HELIX 1 1 GLY A 10 THR A 22 1 13 HELIX 2 2 ARG A 33 GLY A 49 1 17 HELIX 3 3 ASN A 58 CYS A 65 1 8 HELIX 4 4 PRO A 73 LEU A 84 1 12 SHEET 1 A 8 ILE A 53 LYS A 57 0 SHEET 2 A 8 GLU A 26 SER A 31 1 O ILE A 27 N THR A 54 SHEET 3 A 8 ARG A 2 LEU A 6 1 N VAL A 3 O GLU A 26 SHEET 4 A 8 ILE A 67 LEU A 70 1 O ILE A 67 N ALA A 4 Some Other Features REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ... REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 MET A 56 CG MET A 56 SD 0.071 REMARK 500 MET B 199 SD MET B 199 CE 0.072 ATOM 1 N MET A 1 7.611 36.084 37.391 1.00 40.40 ATOM 2 CA MET A 1 7.905 34.674 37.798 1.00 39.27 ATOM 3 C MET A 1 9.379 34.517 38.107 1.00 36.42 ATOM 4 O MET A 1 10.164 35.465 37.914 1.00 37.40 ATOM 5 CB MET A 1 7.527 33.695 36.682 1.00 42.44 ATOM 6 CG MET A 1 6.074 33.246 36.704 1.00 46.09 ATOM 7 SD MET A 1 5.639 32.298 35.224 1.00 51.52 ATOM 8 CE MET A 1 5.495 30.591 35.896 1.00 48.35 ATOM 9 N ARG A 2 9.756 33.340 38.603 1.00 32.84 ATOM 10 CA ARG A 2 11.160 33.082 38.916 1.00 29.19 ATOM 11 C ARG A 2 11.745 32.302 37.746 1.00 25.98 ATOM 12 O ARG A 2 11.351 31.162 37.469 1.00 23.28 ATOM 13 CB ARG A 2 11.298 32.275 40.202 1.00 32.13 ATOM 14 CG ARG A 2 12.742 32.112 40.647 1.00 35.46 ATOM 15 CD ARG A 2 13.124 33.117 41.729 1.00 37.96 ATOM 16 NE ARG A 2 13.656 32.406 42.880 1.00 40.75 ATOM 17 CZ ARG A 2 14.741 32.763 43.559 1.00 42.03 ATOM 18 NH1 ARG A 2 15.434
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02 - coords-angles1 - The Source of (Public) Protein...

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