Header list of 1g6z.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSFERASE 08-NOV-00 1G6Z TITLE SOLUTION STRUCTURE OF THE CLR4 CHROMO DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: CLR4 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CHROMO DOMAIN, RESIDUES 2-69; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 4896; SOURCE 5 GENE: CLR4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMAL-C2X KEYWDS TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR D.A.HORITA,A.V.IVANOVA,A.S.ALTIERI,A.J.KLAR,R.A.BYRD REVDAT 4 23-FEB-22 1G6Z 1 REMARK SEQADV REVDAT 3 24-FEB-09 1G6Z 1 VERSN REVDAT 2 02-AUG-05 1G6Z 1 DBREF SEQADV REMARK REVDAT 1 04-APR-01 1G6Z 0 JRNL AUTH D.A.HORITA,A.V.IVANOVA,A.S.ALTIERI,A.J.KLAR,R.A.BYRD JRNL TITL SOLUTION STRUCTURE, DOMAIN FEATURES, AND STRUCTURAL JRNL TITL 2 IMPLICATIONS OF MUTANTS OF THE CHROMO DOMAIN FROM THE JRNL TITL 3 FISSION YEAST HISTONE METHYLTRANSFERASE CLR4. JRNL REF J.MOL.BIOL. V. 307 861 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11273706 JRNL DOI 10.1006/JMBI.2001.4515 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1B, CNS 1.0 REMARK 3 AUTHORS : VARIAN (VNMR), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1G6Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-NOV-00. REMARK 100 THE DEPOSITION ID IS D_1000012311. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 25 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.8 MM PROTEIN U-15N, 13C; 10 % REMARK 210 (W/V) SORBITOL; 200 MM NACL; 50 REMARK 210 MM TRIS; 0.5 MM EDTA;; 0.8 MM REMARK 210 PROTEIN U-15N, 13C; 10 % (W/V) REMARK 210 SORBITOL U-2H; 200 MM NACL; 50 REMARK 210 MM TRIS; 0.5 MM EDTA; REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; 1H-15N IPAP- REMARK 210 HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 1.7, ANSIG 3.3 REMARK 210 METHOD USED : MOLECULAR DYNAMICS/SIMULATED REMARK 210 ANNEALING TORSION ANGLE DYNAMICS REMARK 210 CARTESIAN DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL 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 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 1 SER A -1 -44.84 -148.22 REMARK 500 1 PRO A 3 34.45 -91.02 REMARK 500 1 GLN A 5 -73.89 -35.81 REMARK 500 1 GLU A 6 114.86 166.94 REMARK 500 1 GLU A 7 -169.82 -52.03 REMARK 500 1 TYR A 8 95.94 -39.48 REMARK 500 1 VAL A 10 -173.74 46.96 REMARK 500 1 GLU A 11 -165.71 -120.98 REMARK 500 1 ILE A 13 111.72 88.75 REMARK 500 1 LYS A 25 -42.41 -170.70 REMARK 500 1 TRP A 31 84.73 -166.68 REMARK 500 1 TYR A 34 -84.48 -71.38 REMARK 500 1 SER A 38 141.39 70.25 REMARK 500 1 CYS A 50 30.66 -88.79 REMARK 500 1 LYS A 65 -71.25 68.98 REMARK 500 1 SER A 67 -75.27 -145.21 REMARK 500 1 ASN A 68 -44.75 -175.17 REMARK 500 2 SER A 2 82.62 62.59 REMARK 500 2 GLN A 5 -68.90 -106.11 REMARK 500 2 GLU A 6 114.11 162.06 REMARK 500 2 GLU A 7 -171.49 -63.54 REMARK 500 2 TYR A 8 90.80 -62.11 REMARK 500 2 VAL A 10 -101.15 -177.25 REMARK 500 2 GLU A 11 -63.88 170.20 REMARK 500 2 ARG A 12 49.53 168.95 REMARK 500 2 ILE A 13 132.01 80.95 REMARK 500 2 TRP A 31 48.42 -167.69 REMARK 500 2 LEU A 32 -37.33 -36.52 REMARK 500 2 SER A 36 -160.81 42.22 REMARK 500 2 ARG A 37 90.69 -58.78 REMARK 500 2 SER A 38 113.82 -170.91 REMARK 500 2 SER A 48 29.01 -79.85 REMARK 500 2 SER A 51 -61.66 -18.70 REMARK 500 2 ARG A 62 -19.23 52.11 REMARK 500 2 ARG A 63 -1.47 76.57 REMARK 500 2 LEU A 64 170.37 -50.30 REMARK 500 2 SER A 67 -78.50 -65.64 REMARK 500 2 ASN A 68 -59.11 -155.63 REMARK 500 3 PRO A 3 109.88 -52.12 REMARK 500 3 LYS A 4 -168.91 50.37 REMARK 500 3 GLN A 5 -72.51 -40.48 REMARK 500 3 GLU A 6 90.76 172.72 REMARK 500 3 TYR A 8 52.12 14.88 REMARK 500 3 GLU A 9 -81.67 -105.64 REMARK 500 3 VAL A 10 -145.71 40.29 REMARK 500 3 ARG A 12 95.82 -53.07 REMARK 500 3 ILE A 13 109.01 61.84 REMARK 500 3 TRP A 31 68.03 -178.05 REMARK 500 3 SER A 35 162.78 176.67 REMARK 500 3 ARG A 37 35.39 35.31 REMARK 500 REMARK 500 THIS ENTRY HAS 458 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1G6Z A 2 69 UNP O60016 CLR4_SCHPO 2 69 SEQADV 1G6Z ILE A -2 UNP O60016 CLONING ARTIFACT SEQADV 1G6Z SER A -1 UNP O60016 CLONING ARTIFACT SEQRES 1 A 70 ILE SER SER PRO LYS GLN GLU GLU TYR GLU VAL GLU ARG SEQRES 2 A 70 ILE VAL ASP GLU LYS LEU ASP ARG ASN GLY ALA VAL LYS SEQRES 3 A 70 LEU TYR ARG ILE ARG TRP LEU ASN TYR SER SER ARG SER SEQRES 4 A 70 ASP THR TRP GLU PRO PRO GLU ASN LEU SER GLY CYS SER SEQRES 5 A 70 ALA VAL LEU ALA GLU TRP LYS ARG ARG LYS ARG ARG LEU SEQRES 6 A 70 LYS GLY SER ASN SER HELIX 1 1 PRO A 43 SER A 48 5 6 HELIX 2 2 CYS A 50 ARG A 62 1 13 SHEET 1 A 3 ASP A 15 LYS A 17 0 SHEET 2 A 3 LEU A 26 ILE A 29 -1 O LEU A 26 N LYS A 17 SHEET 3 A 3 THR A 40 GLU A 42 -1 O THR A 40 N ILE A 29 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 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 MODEL 1
Complete list - b 23 2 Bytes