Header list of 1jrm.pdb file
Complete list - 23 20 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-AUG-01 1JRM TITLE NMR STRUCTURE OF MTH0637. ONTARIO CENTRE FOR STRUCTURAL PROTEOMICS TITLE 2 TARGET MTH0637_1_104; NORTHEAST STRUCTURAL GENOMICS TARGET TT135 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN MTH637; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MTH0637; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS; SOURCE 3 ORGANISM_TAXID: 145262; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALPHA-BETA PROTEIN, STRUCTURAL GENOMICS, OCSP, NESG, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, PSI, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, KEYWDS 3 UNKNOWN FUNCTION EXPDTA SOLUTION NMR AUTHOR A.PINEDA-LUCENA,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 6 23-FEB-22 1JRM 1 REMARK REVDAT 5 24-FEB-09 1JRM 1 VERSN REVDAT 4 25-JAN-05 1JRM 1 AUTHOR KEYWDS REVDAT 3 12-OCT-04 1JRM 1 TITLE KEYWDS REMARK REVDAT 2 01-APR-03 1JRM 1 JRNL REVDAT 1 27-FEB-02 1JRM 0 JRNL AUTH A.YEE,X.CHANG,A.PINEDA-LUCENA,B.WU,A.SEMESI,B.LE,T.RAMELOT, JRNL AUTH 2 G.M.LEE,S.BHATTACHARYYA,P.GUTIERREZ,A.DENISOV,C.H.LEE, JRNL AUTH 3 J.R.CORT,G.KOZLOV,J.LIAO,G.FINAK,L.CHEN,D.WISHART,W.LEE, JRNL AUTH 4 L.P.MCINTOSH,K.GEHRING,M.A.KENNEDY,A.M.EDWARDS, JRNL AUTH 5 C.H.ARROWSMITH JRNL TITL AN NMR APPROACH TO STRUCTURAL PROTEOMICS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 1825 2002 JRNL REFN ISSN 0027-8424 JRNL PMID 11854485 JRNL DOI 10.1073/PNAS.042684599 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE VER 1.8, 2001.030.21.27, DYANA VER 1.5 REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), GUENTERT (DYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JRM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-AUG-01. REMARK 100 THE DEPOSITION ID IS D_1000014109. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 450 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM MTH0637 U-15N,13C; 25MM REMARK 210 PHOSPHATE BUFFER, 450 MM NACL, REMARK 210 10 MM DTT, 20 UM ZN2+, 1 MM REMARK 210 BENZAMIDINE, PH 6.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCACB; CBCA(CO)NH; CCC-TOCSY REMARK 210 -NNH; HCCH-TOCSY; 3D_13C- REMARK 210 SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA VER 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 H ARG A 8 O LEU A 15 1.18 REMARK 500 H VAL A 71 O THR A 80 1.19 REMARK 500 O GLU A 59 H THR A 63 1.24 REMARK 500 HD2 PRO A 46 HD3 PRO A 47 1.30 REMARK 500 HB3 SER A 72 HA LYS A 79 1.33 REMARK 500 HA ALA A 23 O LYS A 42 1.39 REMARK 500 O GLU A 55 H GLU A 59 1.41 REMARK 500 O LEU A 94 H LYS A 98 1.42 REMARK 500 O ASP A 89 H LYS A 93 1.42 REMARK 500 HG SER A 61 O ARG A 66 1.43 REMARK 500 O GLU A 69 H ARG A 82 1.45 REMARK 500 O LEU A 14 H ILE A 83 1.47 REMARK 500 O LEU A 92 H SER A 96 1.49 REMARK 500 H LEU A 14 O ILE A 83 1.49 REMARK 500 O LYS A 51 H GLU A 55 1.51 REMARK 500 O ILE A 56 HB2 PHE A 60 1.55 REMARK 500 O LYS A 93 H GLU A 97 1.59 REMARK 500 O GLN A 74 H ARG A 77 1.60 REMARK 500 N VAL A 71 O THR A 80 2.10 REMARK 500 N ARG A 8 O LEU A 15 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 3 25.53 -168.29 REMARK 500 CYS A 6 -27.97 170.44 REMARK 500 VAL A 20 89.74 -67.29 REMARK 500 SER A 21 132.63 -177.38 REMARK 500 PRO A 22 -93.50 -74.99 REMARK 500 ALA A 23 120.14 176.05 REMARK 500 LYS A 26 105.96 69.82 REMARK 500 PHE A 27 104.78 -38.76 REMARK 500 LYS A 37 24.02 44.58 REMARK 500 HIS A 44 -168.17 -72.30 REMARK 500 GLN A 48 5.44 -68.86 REMARK 500 VAL A 71 -143.34 -102.99 REMARK 500 SER A 72 -118.57 50.04 REMARK 500 ARG A 77 -47.01 71.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: TT135 RELATED DB: TARGETDB DBREF 1JRM A 1 104 UNP O26734 Y637_METTH 1 104 SEQADV 1JRM VAL A 1 UNP O26734 MET 1 CLONING ARTIFACT SEQRES 1 A 104 VAL ILE THR MET ASP CYS LEU ARG GLU VAL GLY ASP ASP SEQRES 2 A 104 LEU LEU VAL ASN ILE GLU VAL SER PRO ALA SER GLY LYS SEQRES 3 A 104 PHE GLY ILE PRO SER TYR ASN GLU TRP ARG LYS ARG ILE SEQRES 4 A 104 GLU VAL LYS ILE HIS SER PRO PRO GLN LYS GLY LYS ALA SEQRES 5 A 104 ASN ARG GLU ILE ILE LYS GLU PHE SER GLU THR PHE GLY SEQRES 6 A 104 ARG ASP VAL GLU ILE VAL SER GLY GLN LYS SER ARG GLN SEQRES 7 A 104 LYS THR ILE ARG ILE GLN GLY MET GLY ARG ASP LEU PHE SEQRES 8 A 104 LEU LYS LEU VAL SER GLU LYS PHE GLY LEU GLU ILE PRO HELIX 1 1 LYS A 51 GLY A 65 1 15 HELIX 2 2 GLY A 73 SER A 76 5 4 HELIX 3 3 GLY A 87 LYS A 98 1 12 SHEET 1 A 4 LEU A 7 VAL A 10 0 SHEET 2 A 4 ASP A 13 GLU A 19 -1 O LEU A 15 N ARG A 8 SHEET 3 A 4 GLN A 78 GLN A 84 -1 O ILE A 83 N LEU A 14 SHEET 4 A 4 ASP A 67 ILE A 70 -1 N GLU A 69 O ARG A 82 CRYST1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000
Complete list - 23 20 Bytes